Metabolic pathways are enzyme-mediated biochemical reactions that lead to biosynthesis (anabolism) or breakdown (catabolism) of natural product small molecules within a cell or tissue. In each pathway, enzymes catalyze the conversion of substrates into structurally similar products. Metabolic processes typically transform small molecules, but also include macromolecular processes such as DNA repair and replication, and protein synthesis and degradation. Metabolism maintains the living state of the cells and the organism.

Proteases are used throughout an organism for various metabolic processes. Proteases control a great variety of physiological processes that are critical for life, including the immune response, cell cycle, cell death, wound healing, food digestion, and protein and organelle recycling. On the basis of the type of the key amino acid in the active site of the protease and the mechanism of peptide bond cleavage, proteases can be classified into six groups: cysteine, serine, threonine, glutamic acid, aspartate proteases, as well as matrix metalloproteases. Proteases can not only activate proteins such as cytokines, or inactivate them such as numerous repair proteins during apoptosis, but also expose cryptic sites, such as occurs with β-secretase during amyloid precursor protein processing, shed various transmembrane proteins such as occurs with metalloproteases and cysteine proteases, or convert receptor agonists into antagonists and vice versa such as chemokine conversions carried out by metalloproteases, dipeptidyl peptidase IV and some cathepsins. In addition to the catalytic domains, a great number of proteases contain numerous additional domains or modules that substantially increase the complexity of their functions.

Imbalances in metabolic activities have been found to be critical in a number of pathologies, such as cardiovascular diseases, inflammation, cancer, and neurodegenerative diseases.

References:
[1] Turk B, et al. EMBO J. 2012 Apr 4;31(7):1630-43.
[2] Eatemadi A, et al. Biomed Pharmacother. 2017 Feb;86:221-231.


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15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
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Lodelaben

Lodelaben is a human neutrophil elastase inhibitor with an IC50 and Ki of 0.5 and 1.5 μM, respectively.

  • CAS Number: 111149-90-7
  • MF: C25H41ClO3
  • MW: 425.04400
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lisinopril

Lisinopril is angiotensin-converting enzyme inhibitor, used in treatment of hypertension, congestive heart failure, and heart attacks.Target: ACELisinopril is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE), the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Lisinopril may be used to treat hypertension and symptomatic congestive heart failure, to improve survival in certain individuals following myocardial infarction, and to prevent progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy [1, 2].

  • CAS Number: 76547-98-3
  • MF: C21H31N3O5
  • MW: 405.488
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 666.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 356.9±31.5 °C

PA 452

PA452, retinoic X receptor (RXR) specific antagonist, inhibits the effect of Retinoic acid (RA) on Th1/Th2 development[1].

  • CAS Number: 457657-34-0
  • MF: C26H37N3O3
  • MW: 439.59
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nutlin-3

(Rac)-Nutlin-3 (Rebemadlin), an active enantiomer of Nutlin-3, is a potent murine double minute (MDM2) inhibitor (IC50=90 nM). (Rac)-Nutlin-3 inhibits MDM2-p53 interactions and stabilizes the p53 protein, and induces cell autophagy and apoptosis. (Rac)-Nutlin-3 has the potential for the study of TP53 wild-type ovarian carcinomas[1][2].

  • CAS Number: 890090-75-2
  • MF: C30H30Cl2N4O4
  • MW: 581.49
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hu7691 free base

Hu7691 free base is an orally active, selective Akt inhibitor with IC50s of 4.0 nM, 97.5 nM, 28 nM for Akt1, Akt2 and Akt3, respectively. Hu7691 free base inhibits tumor growth and enables decrease of cutaneous toxicity in mice[1].

  • CAS Number: 2241232-43-7
  • MF: C22H21F3N4O
  • MW: 414.42
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Conglobatin

Conglobatin (FW-04-806), a macrolide dilactone, is isolated from the culture of Streptomyces conglobatus. Conglobatin is an orally active Hsp90 inhibitor. Conglobatin can bind to the N-terminal domain of Hsp90 and disrupt Hsp90-Cdc37 complex formation. Conglobatin induces apoptosis in human breast cancer cells and esophageal squamous cell carcinoma cells, and exhibits antitumor activity in vivo[1][2][3].

  • CAS Number: 72263-05-9
  • MF: C28H38N2O6
  • MW: 498.61100
  • Catalog: Apoptosis
  • Density: 1.06 g/cm3
  • Boiling Point: 673.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 361.1ºC

DHODH-IN-12

DHODH-IN-12 (Compound 12b) is a Leflunomide derivative and a weak dihydroorotate dehydrogenase (DHODH) inhibitor with a pKa of 5.07[1].

  • CAS Number: 1263303-93-0
  • MF: C10H9N3O2
  • MW: 203.20
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methyl 2,4-dihydroxy-6-methylbenzoate

Methyl orsellinate is a phytotoxic compound with antifungal activities. Methyl orsellinate is a 5-lipoxygenase inhibitor with an IC50 value of 59.6 μM. Methyl orsellinate can be used for fungal infection research[1][2].

  • CAS Number: 3187-58-4
  • MF: C9H10O4
  • MW: 182.173
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 339.1±22.0 °C at 760 mmHg
  • Melting Point: 141-142℃
  • Flash Point: 138.1±15.8 °C

HIV Protease Substrate VI

Arg-Val-(Nle-p-nitro)-Phe-Glu-Ala-Nle-NH2 is a fluorogenic substrate of HIV-1 protease. Arg-Val-(Nle-p-nitro)-Phe-Glu-Ala-Nle-NH2 can be used to test HIV-1 protease activity[1].

  • CAS Number: 130877-92-8
  • MF: C40H66N12O11
  • MW: 891.03
  • Catalog: HIV Protease
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Tyr-Tyr-OH

H-Tyr-Tyr-OH (L-Tyrosyl-L-tyrosine) is an antihypertensive peptide. H-Tyr-Tyr-OH inhibits angiotensin I-converting enzyme (ACE) with an IC50 value of 0.028 mg/mL. H-Tyr-Tyr-OH can be used for the research of high blood pressure[1][2].

  • CAS Number: 1050-28-8
  • MF: C18H20N2O5
  • MW: 344.36200
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6BrCaQ

6BrCaQ is a potent mitochondrial heat shock protein TRAP1 inhibitor, with antiproliferative activity. 6BrCaQ can be used in the synthesis of 6BrCaQ-TPP conjugates[1].

  • CAS Number: 954416-67-2
  • MF: C18H15BrN2O3
  • MW: 387.23
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Arg-Arg-AMC hydrochloride salt

Arg-Arg-AMC is a highly selective substrate of Cathepsin B. Arg-Arg-AMC can be used to cathepsin B activity assay in cancer cells, while cathepsin B is assocaited with cell invasive and metastatic phenotype in numerous types of cancer[1].

  • CAS Number: 263843-55-6
  • MF: C22H33N9O4
  • MW: 487.56
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

WNK1-IN-1

WNK1-IN-1 is a selective inhibitor of WNK1 with an IC50 value of 1.6 μM. WNK1-IN-1 inhibits OSR1 phosphorylation with an IC50 value of 4.3 μM. WNK1-IN-1 can be used for the research of blood pressure regulation and cancer[1].

  • CAS Number: 324022-39-1
  • MF: C13H15BrCl2N2O4S
  • MW: 446.14
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Trp-Phe-OH

H-Trp-Phe-OH is a dipeptide consisting of tryptophan and phenylalanine (Trp-Phe). H-Trp-Phe-OH is also an antihypertensive peptide with inhibitory activity on angiotensin-converting enzyme (ACE), dose-dependently increases NO levels, and decreases endothelin-1 (ET-1) levels. H-Trp-Phe-OH (2 mg/kg; subcutaneous injection; 6 injections over 3 days) causes an increase in ovarian weight in female mice[1][2].

  • CAS Number: 6686-02-8
  • MF: C20H21N3O3
  • MW: 351.39900
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.319g/cm3
  • Boiling Point: 688.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 370.1ºC

h-NTPDase-IN-5

h-NTPDase-IN-5 (compound 3b) is a pan-inhibitor of NTPDase with IC50s of 1.10 μM (h-NTPDase1), 44.73 μM (h-NTPDase2), 26.14 μM (h-NTPDase3), 0.32 μM (h- NTPDase8).

  • CAS Number: 2939932-93-9
  • MF: C23H21N3O2S
  • MW: 403.50
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

8-CPT-Cyclic AMP sodium

8-CPT-Cyclic AMP (8-CPT-cAMP) sodium is a selective activator of cyclic AMP-dependent protein kinase (PKA). 8-CPT-Cyclic AMP sodium is also a potent inhibitor of the cyclic GMP-specific phosphodiesterase (PDE VA) with an IC50 of 0.9 μM. 8-CPT-Cyclic AMP sodium also inhibits PDE III and PDE IV with IC50Epac and is a potent Epac activator[1][2].

  • CAS Number: 93882-12-3
  • MF: C16H14ClN5NaO6PS
  • MW: 493.79
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: 799.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 437.1ºC

KGP-94

KGP-94 is a potent, selective cathepsin L inhibitor with IC50 of 189 nM, shows no significant inhibitory effect on cathepsin B (IC50>10 uM); significantly decreases the activity of cathepsin L toward human type I collagen, and impeds both migration and invasion of MDA-MB-231 human breast cancer cells; shows tumor growth retardation in a C3H mouse mammary carcinoma model.

  • CAS Number: 1131456-28-4
  • MF: C14H12BrN3OS
  • MW: 350.234
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ro 41-0960

Ro 41-0960 is a selective catechol-O-methyltransferase(COMT) inhibitor[1].

  • CAS Number: 125628-97-9
  • MF: C13H8FNO5
  • MW: 277.20500
  • Catalog: COMT
  • Density: 1.536g/cm3
  • Boiling Point: 489.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 250.1ºC

Chlorogenic acid butyl ester

Chlorogenic acid butyl ester, a caffeoylquinic acid, is a potent melanogenesis inhibitor. Chlorogenic acid butyl ester inhibits the expression of microphtalmia-associated transcription factor (MITF), tyrosinase, tyrosinerelated protein 1 (TRP-1), and TRP-2. Chlorogenic acid butyl ester also shows antioxidant activity[1].

  • CAS Number: 132741-56-1
  • MF: C20H26O9
  • MW: 410.42
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phosphoramidon disodium salt

Phosphoramidon disodium is a metalloprotease inhibitor. Phosphoramidon inhibits endothelin-converting enzyme (ECE), neutral endopeptidase (NEP), and angiotensin-converting enzyme (ACE) with IC50 values of 3.5, 0.034, and 78 μM, respectively.

  • CAS Number: 164204-38-0
  • MF: C23H32N3Na2O10P
  • MW: 587.47
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HKB99

HKB99 is an allosteric inhibitor of phosphoglycerate mutase 1 (PGAM1). HKB99 inhibits the formation of invasive pseudopodia and increases the level of PAI-2 in vitro. HKB99 increases the oxidative stress, activates JNK/c-Jun and suppresses AKT and ERK. HKB99 can be used for the research of non-small-cell lung cancer (NSCLC)[1][2].

  • CAS Number: 2414908-90-8
  • MF: C23H18N2O6S
  • MW: 450.46
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Atreleuton

Atreleuton (ABT-761) is a selective, reversible, and orally bioavailable 5-Lipoxygenase (5-LO) inhibitor. Atreleuton (ABT-761) exhibits potent and selective inhibition of leukotriene formation[1][2][3].

  • CAS Number: 154355-76-7
  • MF: C16H15FN2O2S
  • MW: 318.36600
  • Catalog: 5-Lipoxygenase
  • Density: 1.37g/cm3
  • Boiling Point: 506.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 260.2ºC

Simmitecan hydrochloride

Simmitecan hydrochloride, a 9-substituted lipophilic Camptothecin (HY-16560) derivative, is a potent topoisomerase I inhibitor. Simmitecan hydrochloride is an anticancer agent[1][2].

  • CAS Number: 1247847-78-4
  • MF: C34H39ClN4O6
  • MW: 635.150
  • Catalog: Topoisomerase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AGN 196996

AGN 196996 is a potent and selective RARα antagonist with Ki value of 2 nM; little binding affinity for RARβ(Ki=1087 nM) and RARγ(Ki=8523 nM).IC50 value: 2 nM(Ki)Target: RARα antagonistAGN 196996 shows no activity in transactivation assays, but instead block the gene transcriptional activity induced by ATRA and other RAR agonists.

  • CAS Number: 958295-17-5
  • MF: C24H20BrNO5
  • MW: 482.32300
  • Catalog: RAR/RXR
  • Density: 1.453±0.06 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 619.8±55.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

BMS-767778

BMS-767778, a DPP-4 inhibitor, is used potentially for the treatment of type 2 diabetes.

  • CAS Number: 915729-95-2
  • MF: C19H20Cl2N4O2
  • MW: 407.29
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

F1063-0967

F1063-0967 is a Dual-specificity phosphatase 26 (DUSP26) inhibitor with an IC50 of 11.62 μM.

  • CAS Number: 613225-56-2
  • MF: C24H24N2O5S2
  • MW: 484.588
  • Catalog: Phosphatase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-(3-Cyano-4-propoxyphenyl)-4-methylthiazole-5-carboxylic acid

O-Desisobutyl-O-n-propyl Febuxostat, extracted from the patent CN 103467412, is an xanthine oxidase inhibitor[1].

  • CAS Number: 1530308-87-2
  • MF: C15H14N2O3S
  • MW: 302.35
  • Catalog: Xanthine Oxidase
  • Density: 1.34±0.1 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Serotonin-d4

Serotonin-d4 is deuterium labeled Serotonin. Serotonin is a monoamine neurotransmitter in the CNS and an endogenous 5-HT receptor agonist. Serotonin is also a catechol O-methyltransferase (COMT) inhibitor with a Ki of 44 μM.

  • CAS Number: 58264-95-2
  • MF: C10H8D4N2O
  • MW: 180.24
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO-IN-5

IDO-IN-5 (NLG-1489) is an indoleamine 2,3-dioxygenase (IDO) inhibitor extracted from patent WO WO2012142237A1, compound 1489, has an IC50 of 1-10 μM.

  • CAS Number: 1402837-79-9
  • MF: C18H21FN2O2
  • MW: 316.370
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 555.4±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 289.7±25.9 °C

Thrombin inhibitor 5

Thrombin inhibitor 5 (compound 385) is a thrombin inhibitor, with IC50s ranging from 0.1 μM to 1 μM. Thrombin inhibitor 5 can be used for research of venous thromboembolism[1].

  • CAS Number: 328108-09-4
  • MF: C11H9FN4O3
  • MW: 264.21
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A