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C3001a

CAT: 0804-HY-160789Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-160789Size:1 Each
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Description
C3001a is a selective TREK-1 and TREK-2 channel activator with EC50 values of 12.81 μM and 11.31 μM, respectively. C3001a does not affect other two-pore domain K+ (K2P) channels. C3001a binds to the cryptic binding site formed by P1 and TM4 in TREK-1. C3001a can be used for the study of pain and pancreatitis[1].
CAS Number
2415154-29-7
UNSPSC
12352005
Target
Potassium Channel
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Neurological Disease; Inflammation/Immunology
Smiles
O=C([C@@H]1C[C@H](C(NC2=CC=C(C3=NC4=CC=C(C)C=C4S3)C=C2)=O)CC1)O
Molecular Formula
C21H20N2O3S
Molecular Weight
380.46
References & Citations
[1]Qiu Y, et al. TREK Channel Family Activator with a Well-Defined Structure-Activation Relationship for Pain and Neurogenic Inflammation. J Med Chem. 2020 Apr 9;63 (7) :3665-3677.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(1S,3R)-3-[[[4-(6-methyl-2-benzothiazolyl)phenyl]amino]carbonyl]-cyclopentanecarboxylic acid
CAS Number2415154-29-7
PubChem CID97033535
IUPAC Namecis-(1S,3R)-3-[[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)[C@@H]4CC[C@@H](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)/t14-,15+/m1/s1
InChIKey
OUAZWUKQRHZQNC-CABCVRRESA-N
Chemical Structure
2D Structure
2D structure of (1S,3R)-3-[[[4-(6-methyl-2-benzothiazolyl)phenyl]amino]carbonyl]-cyclopentanecarboxylic acid
CAS: 2415154-29-7
CID: 97033535
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 Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP22415-01(±) -C3001a
MBS5814458C3001a

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