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(±) -C3001a

CAT: 0013-GTR19208932-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208932-02Size:5 mg
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Description
(±) -C3001a (CAS 2415154-29-7) is a racemic, selective TREK-1 (K2P) channel activator that binds a cryptic P1/TM4 site. It is used in research to study TREK-1's role in pain perception, reducing neuronal excitability in vitro and showing analgesic potential in preclinical pain model studies.
CAS Number
1374325-56-0
Product Name Alternative
Cyclopentanecarboxylic acid, 3-[[[4- (6-methyl-2-benzothiazolyl) phenyl]amino]carbonyl]-, BMS927711, BMS-927711, BMS 927711, BHV3000, BHV 3000, C3001a, (RS) -C3001a, 3-[[[4- (6-Methyl-2-benzothiazolyl) phenyl]amino]carbonyl]cyclopentanecarboxylic acid, Rimegepant
Field of Research
Pharmacology & Drug Discovery
Purity
99.13% (May vary between batches)
Smiles
O=C (O) C1CCC (C (=O) NC2=CC=C (C=C2) C3=NC=4C=CC (=CC4S3) C) C1
Molecular Formula
C21H20N2O3S
Molecular Weight
380.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((4-(6-Methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)cyclopentanecarboxylic acid
CAS Number1374325-56-0
PubChem CID56951739
IUPAC Name3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
Molecular FormulaC21H20N2O3S
Molecular Weight380.5
XLogP3.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity564
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCC(C4)C(=O)O
InChI
InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)
InChIKey
OUAZWUKQRHZQNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((4-(6-Methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)cyclopentanecarboxylic acid
CAS: 1374325-56-0
CID: 56951739
Formula: C21H20N2O3S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass380.11946368
Monoisotopic Mass380.11946368
Topological Polar Surface Area108 Ų
Heavy Atom Count27
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP22415-01(±) -C3001a
HY-160789C3001a

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