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ABT 102

CAT: 0013-GTR19171316-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171316-01Size:1 mg
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Description
ABT-102 (CHEMBL398338) is a potent and selective TRPV1 receptor antagonist. It is widely used in pharmacological research to investigate TRPV1's role in pain, inflammation, and neurogenic conditions, with applications in both in vitro binding assays and in vivo pain model studies.
CAS Number
808756-71-0
Product Name Alternative
CHEMBL398338, CHEMBL-398338, CHEMBL 398338, ABT 102, ABT102, ABT-102, TRP Channel, TRPChannel, TRPV1, TRPVChannel, TRPV Channel
Field of Research
Pharmacology & Drug Discovery
Purity
98.38% (May vary between batches)
Solubility
DMSO:45 mg/mL (129.15 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:2 mg/mL (5.74 mM)
Smiles
N (C (NC1=C2C (NN=C2) =CC=C1) =O) [C@H]3C=4C (=CC (C (C) (C) C) =CC4) CC3
Molecular Formula
C21H24N4O
Molecular Weight
348.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abt 102

a TRPV1 antagonist; structure in first source

CAS Number808756-71-0
PubChem CID11256560
IUPAC Name1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
Molecular FormulaC21H24N4O
Molecular Weight348.4
XLogP4.2
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity517
SMILES
CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)NC(=O)NC3=CC=CC4=C3C=NN4
InChI
InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
InChIKey
TYOYXJNGINZFET-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Abt 102
CAS: 808756-71-0
CID: 11256560
Formula: C21H24N4O
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass348.19501140
Monoisotopic Mass348.19501140
Topological Polar Surface Area69.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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