Most of molecules enter or leave cells mainly via membrane transport proteins, which play important roles in several cellular functions, including cell metabolism, ion homeostasis, signal transduction, binding with small molecules in extracellular space, the recognition process in the immune system, energy transduction, osmoregulation, and physiological and developmental processes. There are three major types of transport proteins, ATP-powered pumps, channel proteins and transporters.

ATP-powered pumps are ATPases that use the energy of ATP hydrolysis to move ions or small molecules across a membrane against a chemical concentration gradient or electric potential. Channel proteins transport water or specific types of ions down their concentration or electric potential gradients. Many other types of channel proteins are usually closed, and open only in response to specific signals. Because these types of ion channels play a fundamental role in the functioning of nerve cells. Transporters, a third class of membrane transport proteins, move a wide variety of ions and molecules across cell membranes. Membrane transporters either enhance or restrict drug distribution to the target organs. Depending on their main function, these membrane transporters are divided into two categories: the efflux (export) and the influx (uptake) transporters.

Transport proteins such as channels and transporters play important roles in the maintenance of intracellular homeostasis, and mutations in these transport protein genes have been identified in the pathogenesis of a number of hereditary diseases. In the central nervous system ion channels have been linked to many diseases such, but not limited to, ataxias, paralyses, epilepsies, and deafness indicative of the roles of ion channels in the initiation and coordination of movement, sensory perception, and encoding and processing of information. Furthermore, drug transporters can serve as drug targets or as a mechanism to facilitate drug delivery to cells and tissues.

References:
[1] Sadée W, et al. Pharm Res. 1995 Dec;12(12):1823-37.
[2] Girardin F. Dialogues Clin Neurosci. 2006;8(3):311-21.
[3] Zaydman MA, et al. Chem Rev. 2012 Dec 12;112(12):6319-33.
[4] Mishra NK, et al. PLoS One. 2014 Jun 26;9(6):e100278.


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Isoxazole 9 (ISX-9)

ISX-9 is a small molecule inducer of adult neural stem cell differentiation. Target: At 2.5-20 μM, ISX-9 has been shown to dose-dependently trigger neurogenesis and block gliogenesis in adult rat hippocampal stem cells through a calcium-activated signaling pathway dependent on myocyte-enhancer factor 2-dependent gene expression.ISX-9 administered at 20 mg/kg for 12 days to mice has been reported to improve hippocampal function as evidenced by enhanced spatial memory ability in the Morris water maze test.

  • CAS Number: 832115-62-5
  • MF: C11H10N2O2S
  • MW: 234.274
  • Catalog: Calcium Channel
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 468.1±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 236.9±25.9 °C

Alaproclate HCl

Alaproclate (GEA 654) hydrochloride is a selective and orally active serotonin re-uptake inhibitor (SSRI). Alaproclate hydrochloride also acts as a potent, reversible and noncompetitive antagonist of the NMDA receptor coupled ion flow[1][2].

  • CAS Number: 60719-83-7
  • MF: C13H19Cl2NO2
  • MW: 292.20
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 324.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 150.2ºC

Mecamylamine-d3 hydrochloride

Mecamylamine-d3 hydrochloride is the deuterium labeled Mecamylamine hydrochloride. Mecamylamine hydrochloride is an orally active, nonselective, noncompetitive nAChR antagonist that can treat various neuropsychiatric disorders. Mecamylamine hydrochloride is originally used as a ganglionic blocker in treating hypertension. Mecamylamine hydrochloride can easily crosses the blood-brain barrier[1][2].

  • CAS Number: 1217625-71-2
  • MF: C11H19ClD3N
  • MW: 206.77100
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aptiganel hydrochloride

Aptiganel hydrochloride (Cerestat) is a non-competitive NMDA receptor antagonist with neuroprotective effect.

  • CAS Number: 137160-11-3
  • MF: C20H22ClN3
  • MW: 303.401
  • Catalog: iGluR
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 490.9±38.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 250.7±26.8 °C

Kobusin

Kobusin is a bisepoxylignan isolated from the Pnonobio biondii Pamp. Kobusin is an activator of CFTR and CaCCgie chloride channels and a inhibitor of ANO1/CaCC (calcium-activated chloride channel) channel[1][2].

  • CAS Number: 36150-23-9
  • MF: C21H22O6
  • MW: 370.39600
  • Catalog: CFTR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Amlodipine besylate

Amlodipine besylate is a long-acting calcium channel blocker.Target: Calcium ChannelAmlodipine is a dihydropyridine calcium antagonist (calcium ion antagonist or slow-channel blocker) that inhibits the movement of calcium ions into vascular smooth muscle cells and cardiac muscle cells. Experimental data suggest amlodipine binds to both dihydropyridine and nondihydropyridine binding sites. The contractile processes of cardiac muscle and vascular smooth muscle are dependent upon the movement of extracellular calcium ions into these cells through specific ion channels. Amlodipine inhibits calcium ion influx across cell membranes selectively, with a greater effect on vascular smooth muscle cells than on cardiac muscle cells. Negative inotropic effects, or decreased heart muscle contractility, can be detected in vitro, but such effects have not been seen in intact animals at therapeutic doses. Serum calcium concentration is not affected by amlodipine. Within the physiologic pH range, amlodipine is an ionized compound (pKa = 8.6), and its interaction with the calcium channel receptor is characterized by a gradual rate of association and dissociation with the receptor binding site, resulting in a gradual onset of effect. Amlodipine is a peripheral arterial vasodilator that acts directly on vascular smooth muscle to cause a reduction in peripheral vascular resistance and reduction in blood pressure. From Wikipedia.

  • CAS Number: 111470-99-6
  • MF: C26H31ClN2O8S
  • MW: 567.051
  • Catalog: Calcium Channel
  • Density: 1.227g/cm3
  • Boiling Point: 527.2ºC at 760 mmHg
  • Melting Point: 199-201°C
  • Flash Point: 272.6ºC

benoxinate hydrochloride

Oxybuprocaine hydrochloride (Benoxinate hydrochloride) reversibly blocks sodium channels and prevents propagation of painful nerve impulses in the cornea, conjunctiva, and sclera. Oxybuprocaine hydrochloride is used especially in ophthalmology and otolaryngology[1][2][3].

  • CAS Number: 5987-82-6
  • MF: C17H29ClN2O3
  • MW: 344.877
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: 446.9ºC at 760 mmHg
  • Melting Point: 158 - 162ºC
  • Flash Point: 224.1ºC

Pantoprazole-d6

Pantoprazole-d6 is deuterium labeled Pantoprazole. Pantoprazole (BY10232) is an orally active and potent proton pump inhibitor (PPI)[1]. Pantoprazole, a substituted benzimidazole, is a potent H+/K+-ATPase inhibitor with an IC50 of 6.8 μM. Pantoprazole improves pH stability and has anti-secretory, anti-ulcer activities. Pantoprazole significantly increased tumor growth delay combined with Doxorubicin (HY-15142)[3][4].

  • CAS Number: 922727-65-9
  • MF: C16H9D6F2N3O4S
  • MW: 389.41
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Amlodipine besilate impurity G

Calcium Channel antagonist 1 is an antagonist of Calcium Channel Calcium Channel antagonist 1 has the potential for the research of neurology disease[1].

  • CAS Number: 43067-01-2
  • MF: C17H18ClNO4
  • MW: 335.782
  • Catalog: Calcium Channel
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 436.7±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 217.9±28.7 °C

Digitoxin

Digitoxin is an effective Na+/K+-ATPase inhibitor, the EC50 value of Digitoxin is 0.78 μM.IC50 value: 0.78 μM (EC50)Target: Na+/K+-ATPasein vitro: Digitoxin shows a significantly cytotoxic effect in H1975 cells by causing G2 phase arrest, also remarkably activates 5' adenosine monophosphate-activated protein kinase (AMPK). Moreover, Digitoxin suppresses microtubule formation through decreasing α-tubulin. Digitoxin effectively depresses the growth of TKI-resistance NSCLC H1975 cells by inhibiting microtubule polymerization and inducing cell cycle arrest. Digitoxin has the highest cytotoxicity in H1975 cells, whose CC50 value was 0.19 ± 0.06 μM. Digitoxin-induced inhibition mechanism is likely due to causing G2/M cell cycle arrest in H1975 cells in dose dependent manners.

  • CAS Number: 71-63-6
  • MF: C41H64O13
  • MW: 764.939
  • Catalog: Na+/K+ ATPase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 902.3±65.0 °C at 760 mmHg
  • Melting Point: 240ºC (dec.)(lit.)
  • Flash Point: 269.5±27.8 °C

CNV1014802 (hydrochloride)

CNV1014802(GSK-1014802) Hcl is a novel small molecule state-dependent sodium channel blocker; Nav1.7 sodium channel inhibitor.IC50 value: Target: sodium channel blockerLike lamotrigine, both GSK2 and GSK3 were able to prevent the deficit in reversal learning produced by PCP, thus confirming their potential in the treatment of cognitive symptoms of schizophrenia. However, higher doses than those required for anticonvulsant efficacy of the drugs were needed for activity in the reversal-learning model, suggesting a lower therapeutic window relative to mechanism-dependent central side effects for this indication. CNV1014802 received orphan-drug designation from the US Food and Drug Administration in July 2013.

  • CAS Number: 934240-31-0
  • MF: C18H20ClFN2O2
  • MW: 350.81500
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Elacridar hydrochloride

Elacridar Hcl (GF120918; GW0918) is a P-glycoprotein inhibitor, and has been used both in vitro and in vivo as a tool inhibitor of P-glycoprotein (Pgp) to investigate the role of transporters in the disposition of various test molecules.IC50 value:Target: P-glycoprotein In vitro, GF120918A demonstrated high plasma protein binding across species, although a definitive protein binding evaluation was precluded by poor recovery, particularly in buffer and in mouse, rat, and dog plasma. GF120918A did not demonstrate potent inhibition of several human cytochrome P450 enzymes evaluated in vitro, with IC(50) values well above concentrations anticipated to be achieved in vivo. Together, these data confirm the utility of GF120918A as a tool P-glycoprotein inhibitor in preclinical species and offer additional guidance on preclinical dose regimens likely to produce P-glycoprotein-mediated effects.

  • CAS Number: 143851-98-3
  • MF: C34H34ClN3O5
  • MW: 600.10400
  • Catalog: P-glycoprotein
  • Density: N/A
  • Boiling Point: 701.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 378.1ºC

(+)-MK 801 Maleate

(+)-MK 801 Maleate is a potent, selective and non-competitive NMDA receptor antagonist with Kd of 37.2 nM in rat brain membranes.

  • CAS Number: 77086-22-7
  • MF: C20H19NO4
  • MW: 337.369
  • Catalog: iGluR
  • Density: N/A
  • Boiling Point: 541ºC at 760 mmHg
  • Melting Point: 183-185ºC
  • Flash Point: 281ºC

NS-638

NS-638 is a small nonpeptide molecule with Ca2+-channel blocking properties. K+-stimulated intracellular Ca2+-elevation is blocked with an IC50 value of 3.4 μM.

  • CAS Number: 150493-34-8
  • MF: C15H11ClF3N3
  • MW: 325.71600
  • Catalog: Calcium Channel
  • Density: 1.45g/cm3
  • Boiling Point: 476.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 241.8ºC

Flumazenil acid

Flumazenil acid is a metabolite of Flumazenil[1]. Flumazenil is a GABAA receptor antagonist[2].

  • CAS Number: 84378-44-9
  • MF: C13H10FN3O3
  • MW: 275.24
  • Catalog: GABA Receptor
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 570.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 298.8±30.1 °C

CIM 0216

CIM0216, a potent and selective agonist of TRPM3, has the ability to open two distinct cation-permeable pores in TRPM3. CIM0216 exhibits selectivity for TRPM3 over TRPM1, TRPM2 and TRPM4-8. CIM0216 acts as a powerful tool for use in investigating the physiological roles of TRPM3, and can be used for neurogenic inflammation research[1].

  • CAS Number: 1031496-06-6
  • MF: C21H21N3O2
  • MW: 347.410
  • Catalog: TRP Channel
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 608.7±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 321.9±31.5 °C

Methyl syringate-d6

Methyl syringate-d6 is the deuterium labeled Methyl syringate[1]. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[2][3][4].

  • CAS Number: 1182838-09-0
  • MF: C10H6D6O5
  • MW: 218.24
  • Catalog: TRP Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Propofol

Propofol potently and directly activates GABAA receptor and inhibits glutamate receptor mediated excitatory synaptic transmission. Propofol has antinociceptive properties and is used for sedation and hypnotic[1].

  • CAS Number: 2078-54-8
  • MF: C12H18O
  • MW: 178.271
  • Catalog: GABA Receptor
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 256.0±0.0 °C at 760 mmHg
  • Melting Point: 18 °C(lit.)
  • Flash Point: 107.5±7.2 °C

URAT1 inhibitor 1

URAT1 inhibitor 1 (1g) is a uric acid transporter 1 (URAT1) inhibitor, with an IC50 of 32 nM. URAT1 inhibitor 1 has potential to treat hyperuricemia associated with gout[1].

  • CAS Number: 2268720-62-1
  • MF: C19H15Br2N5O2S2
  • MW: 569.29
  • Catalog: URAT1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ZD 9379

ZD-9379 is a potent, orally active, and brain penetrant full antagonist at the glycine site of the NMDA receptor. ZD-9379 has neuroprotective effect[1][2].

  • CAS Number: 170142-20-8
  • MF: C19H14ClN3O4
  • MW: 383.78500
  • Catalog: iGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GABAA receptor modulator-2

GABAA receptor modulator-2 (Compound 20) is selective, orally active α5-GABAAR negative allosteric modulator (NAM) with a Ki of 4.1 nM. GABAA receptor modulator-2 shows high-metabolic stability and good CNS safety[1].

  • CAS Number: 2413850-54-9
  • MF: C22H22FN3O5S
  • MW: 459.49
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mizagliflozin

Mizagliflozin (DSP-3235, KGA-3235, GSK-1614235) is a potent, selective, orally active SGLT1 inhibitor with Ki of 27 nM, displays >350-fold selectivity over SGLT2; increases stool frequency and loosens stool consistency in phase I study; increases fecal wet weight in a dog model of loperamide-induced constipation and a rat model of low-fiber-diet-induced constipation, similar to lubiprostone. Diabetes Phase 1 Clinical

  • CAS Number: 666843-10-3
  • MF: C28H44N4O8
  • MW: 564.671
  • Catalog: SGLT
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 837.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 460.0±34.3 °C

CGP 78608 hydrochloride

CGP 78608 hydrochloride is a highly potent and selective antagonist at the glycine-binding site of the NMDA receptor, with an IC50 of 6 nM. CGP 78608 acts as a potentiator of GluN1/GluN3A-mediated glycine currents, with an estimated EC50 in the low nM range (26.3 nM). Anticonvulsant activity[1][2].

  • CAS Number: 1135278-54-4
  • MF: C11H14BrClN3O5P
  • MW: 414.58
  • Catalog: iGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fumitremorgin C

Fumitremorgin C is a potent and selective ABCG2/BRCP inhibitor.

  • CAS Number: 118974-02-0
  • MF: C22H25N3O3
  • MW: 379.452
  • Catalog: BCRP
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 642.9±55.0 °C at 760 mmHg
  • Melting Point: 259.5-260.5℃
  • Flash Point: 342.6±31.5 °C

TMDJ-035

TMDJ-035 is a selective RyR2 inhibitor. TMDJ-035 suppresses abnormal Ca2+ waves and transients in isolated cardiomyocytes from RyR2-mutated mice. TMDJ-035is a tool for studying the mechanism and dynamics of RyR2 channel gating[1].

  • CAS Number: 2681302-83-8
  • MF: C16H12F3N5O
  • MW: 347.29
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vernakalant-d6 hydrochloride

Vernakalant-d6 (hydrochloride) is deuterium labeled Vernakalant.

  • CAS Number: 866455-16-5
  • MF: C20H26D6ClNO4
  • MW: 391.96
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NF864

NF864, a suramin analog, is a P2X1 receptor inhibitor.

  • CAS Number: 69606-09-3
  • MF: C57H40N6NaO41S12
  • MW: 1872.66
  • Catalog: P2X Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

bifenazate

Bifenazate is a carbazate acaricide that control 100% of mites at a concentration of 25 ppm[1]. Bifenazate is a positive allosteric modulator of GABA receptor[2].

  • CAS Number: 149877-41-8
  • MF: C17H20N2O3
  • MW: 300.35
  • Catalog: GABA Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 122℃
  • Flash Point: N/A

nAChR modulator-1

nAChR modulator-1, a insecticide, is a insect nAChR orthosteric modulator[1].

  • CAS Number: 1902218-84-1
  • MF: C12H8ClN3O2
  • MW: 261.66
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

nAChR agonist 1

nAChR agonist 1 is a potent, brain-permeable, and orally efficacious positive allosteric modulator of α7 nicotinic acetylcholine receptor (α7 nAChR). nAChR agonist 1 has the EC50 of 0.32 µM in a Ca2+ mobilization assay (PNU-282987-induced, FLIPR based) in human IMR-32 neuroblastoma cells that endogenously express α7 nAChR. nAChR agonist 1 can be develpoped for the treatment of Alzheimer’s disease[1].

  • CAS Number: 1394371-75-5
  • MF: C20H18ClNO3S2
  • MW: 419.94
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A