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Related CAS#:
86-13-5 879275-35-1
132-17-2

86-13-5

86-13-5 structure
86-13-5 structure
  • Name: Cogentin
  • Chemical Name: benzatropine
  • CAS Number: 86-13-5
  • Molecular Formula: C21H25NO
  • Molecular Weight: 307.42900
  • Catalog: Flavors and spices Synthetic spice Thiol perfume
  • Create Date: 2018-06-12 18:17:15
  • Modify Date: 2024-01-04 11:05:57
  • Benztropine mesylate is an orally active centrally acting anticholinergic agent that can be used for Parkinson's disease research[1]. Benztropine mesylate is an anti-histamine agent and a dopamine re-uptake inhibitor. Benztropine mesylate is also a human D2 dopamine receptor allosteric antagonist. Benztropine mesylate also has anti-CSCs (cancer stem cells) effects[2].
Name benzatropine
Synonyms Benaztropine
benzotropine
exo-Benztropine
tropine benzohydryl ether
Description Benztropine mesylate is an orally active centrally acting anticholinergic agent that can be used for Parkinson's disease research[1]. Benztropine mesylate is an anti-histamine agent and a dopamine re-uptake inhibitor. Benztropine mesylate is also a human D2 dopamine receptor allosteric antagonist. Benztropine mesylate also has anti-CSCs (cancer stem cells) effects[2].
Related Catalog
Target

5 μM (MDA-MB-231)
In Vitro Benztropine mesylate (0.1-10 μM; 72 hours) treatment inhibits the cell growth of MDA-MB-231 cells with an IC50 of ~5 μM. In MDA-MB-231 cells and 4T1-luc2 cells, Benztropine mesylate reduces the size as well as the number of mammospheres significantly in a dose-dependent manne[1]. Benztropine mesylate inhibits functions of cancer stem cells (CSCs) via the acetylcholine receptors, dopamine transporters/receptors, and/or histamine receptors[1]. Benztropine mesylate induces the differentiation of oligodendrocytes through M1 and M3 muscarinic receptors and enhanced re-myelination[1]. Cell Viability Assay[1] Cell Line: MDA-MB-231 Concentration: 0, 0.1, 0.625, 1.25, 2.5, 5, 10 μM Incubation Time: 72 hours Result: Inhibited cells growth of MDA-MB-231 with IC50 ~5.0 μM. Cell Viability Assay[1] Cell Line: MDA-MB-231 Concentration: 0, 1, 2, 5 μM Incubation Time: 4-6 days Result: Suppressed mammosphere formation and self-renewal capacities of BCSCs in a dose-dependent manner in vitro.
In Vivo Benztropine mesylate (5 μM, 4 weeks) inhibits tumor-initiating potential in a 4T1 mouse model[1]. Animal Model: Balb/c mice bearing 4T1 breast tumors[1] Dosage: 1.5 mg/kg Administration: Injection; 3 weeks Result: Reduced the tumor size and weight significantly without body weight changing.
References

[1]. Jihong Cui, et al. New use of an old drug: inhibition of breast cancer stem cells by benztropine mesylate. Oncotarget. 2017 Jan 3;8(1):1007-1022.

[2]. Santosh S Kulkarni, et al. Comparative structure-activity relationships of benztropine analogues at the dopamine transporter and histamine H(1) receptors. Bioorg Med Chem. 2006 Jun 1;14(11):3625-34.
Density 1.11g/cm3
Boiling Point 409ºC at 760 mmHg
Molecular Formula C21H25NO
Molecular Weight 307.42900
Flash Point 120.1ºC
Exact Mass 307.19400
PSA 12.47000
LogP 4.35570
Index of Refraction 1.604

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM3100000
CHEMICAL NAME :
1-alpha-H,5-alpha-H-Tropane, 3-alpha-(diphenylmethoxy)-
CAS REGISTRY NUMBER :
86-13-5
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C21-H25-N-O
MOLECULAR WEIGHT :
307.47
WISWESSER LINE NOTATION :
T56 A ANTJ A1 GOYR&R -ALL ALPHA

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 4,215,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 4,215,1961 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3957 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 103 (estimated) No. of Female Employees: 52 (estimated)
797763-48-5 structure

797763-48-5

~%

86-13-5 structure

86-13-5
Literature: Pedersen, Hanne; Sinning, Steffen; Buelow, Anne; Wiborg, Ove; Falborg, Lise; Bols, Mikael Organic and Biomolecular Chemistry, 2004 , vol. 2, # 19 p. 2861 - 2869
538-09-0 structure

538-09-0

~%

86-13-5 structure

86-13-5
Literature: Pedersen, Hanne; Sinning, Steffen; Buelow, Anne; Wiborg, Ove; Falborg, Lise; Bols, Mikael Organic and Biomolecular Chemistry, 2004 , vol. 2, # 19 p. 2861 - 2869
120-29-6 structure

120-29-6

~%

86-13-5 structure

86-13-5
Literature: Pedersen, Hanne; Sinning, Steffen; Buelow, Anne; Wiborg, Ove; Falborg, Lise; Bols, Mikael Organic and Biomolecular Chemistry, 2004 , vol. 2, # 19 p. 2861 - 2869
143557-91-9 structure

143557-91-9

~%

86-13-5 structure

86-13-5
Literature: Pedersen, Hanne; Sinning, Steffen; Buelow, Anne; Wiborg, Ove; Falborg, Lise; Bols, Mikael Organic and Biomolecular Chemistry, 2004 , vol. 2, # 19 p. 2861 - 2869
797763-46-3 structure

797763-46-3

~%

86-13-5 structure

86-13-5
Literature: Pedersen, Hanne; Sinning, Steffen; Buelow, Anne; Wiborg, Ove; Falborg, Lise; Bols, Mikael Organic and Biomolecular Chemistry, 2004 , vol. 2, # 19 p. 2861 - 2869
797763-47-4 structure

797763-47-4

~%

86-13-5 structure

86-13-5
Literature: Pedersen, Hanne; Sinning, Steffen; Buelow, Anne; Wiborg, Ove; Falborg, Lise; Bols, Mikael Organic and Biomolecular Chemistry, 2004 , vol. 2, # 19 p. 2861 - 2869
776-74-9 structure

776-74-9
120-29-6 structure

120-29-6

~%

86-13-5 structure

86-13-5
Literature: Merck and Co.Inc. Patent: US2706198 , 1952 ;
908093-98-1 structure

908093-98-1
120-29-6 structure

120-29-6

~%

86-13-5 structure

86-13-5
Literature: Merck and Co.Inc. Patent: US2595405 , 1949 ;
797763-49-6 structure

797763-49-6

~82%

86-13-5 structure

86-13-5
Literature: Pedersen, Hanne; Sinning, Steffen; Buelow, Anne; Wiborg, Ove; Falborg, Lise; Bols, Mikael Organic and Biomolecular Chemistry, 2004 , vol. 2, # 19 p. 2861 - 2869

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title: CAS No. 86-13-5 | Chemsrc address: https://www.chemsrc.com/en/baike/617805.html

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