Granisetron - Moligand™, ≥98% , Antagonist of 5-HT 3A, CAS No.109889-09-0, Antagonist of 5-HT 3A

CAS: 109889-09-0 Cat. No.: G127257 Molecular Weight: 312.41 EC Number: 686-533-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sustol | UNII-WZG3J2MCOL | CHEBI:5537 | Z1501485362 | 1-Methyl-N-(9-methyl-endo-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamide | Granisetron (AB-1001) | GRANISETRON [MI] | LY-278584 | Q-101870 | DTXSID0023111 | NCGC00388522-02 | Sancuso | BRL-4369

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Granisetron is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemotherapy.

Specifications

Synonyms

Sustol | UNII-WZG3J2MCOL | CHEBI:5537 | Z1501485362 | 1-Methyl-N-(9-methyl-endo-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamide | Granisetron (AB-1001) | GRANISETRON [MI] | LY-278584 | Q-101870 | DTXSID0023111 | NCGC00388522-02 | Sancuso | BRL-4369

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Description:
IC50 Value: 17uM (GR reduced 5-HT-evoked contractions) [1]
Granisetron is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemotherapy.
in vitro: In rat forest

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 3A

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763499
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763499
• Canonical Smiles: CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C
• IUPAC Name: 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
• InChIKey: MFWNKCLOYSRHCJ-AGUYFDCRSA-N
• INCHI: 1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+
• Isomeric SMILES: CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C
• Molecular Weight: 312.41
• Reaxy-Rn: 6660726
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6660726&ln=

Associated Targets(Human)

HTR3B Tchem 5-hydroxytryptamine receptor 3B (0 Activities)

Discover Target: HTR3B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (0 Activities)

Discover Target: HTR3A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (0 Activities)

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: DMSO:11 mg/mL
• Molecular Weight: 312.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 312.195 Da
• Monoisotopic Mass: 312.195 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 442.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1