Pamicogrel

CAT: 0804-HY-U00175-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-U00175-03Size:10 mg

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Description

Pamicogrel (KBT3022) is a cyclooxygenase (COX) inhibitor.

CAS Number

101001-34-7

Product Name Alternative

KBT3022

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

COX

Type

Reference compound

Related Pathways

Immunology/Inflammation

Applications

COVID-19-immunoregulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/KB3022.html

Purity

99.44

Solubility

DMSO : 83.33 mg/mL (ultrasonic)

Smiles

O=C(OCC)CN1C(C2=NC(C3=CC=C(OC)C=C3)=C(C4=CC=C(OC)C=C4)S2)=CC=C1

Molecular Formula

C25H24N2O4S

Molecular Weight

448.53

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

References & Citations

[1]Light P. Pamicogrel (Kanebo) . IDrugs. 1999 Sep;2 (9) :938-42.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

COX

Chemical Information

Pamicogrel

Pamicogrel is a small molecule drug. Pamicogrel has a monoisotopic molecular weight of 448.15 Da.

CAS Number	101001-34-7
PubChem CID	65870
IUPAC Name	ethyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
Molecular Formula	C25H24N2O4S
Molecular Weight	448.5
XLogP	5
Topological Polar Surface Area	90.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	32
Formal Charge	0
Complexity	592

SMILES

CCOC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N2O4S/c1-4-31-22(28)16-27-15-5-6-21(27)25-26-23(17-7-11-19(29-2)12-8-17)24(32-25)18-9-13-20(30-3)14-10-18/h5-15H,4,16H2,1-3H3

InChIKey

ISCHOARKJADAKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 101001-34-7

CID: 65870

Formula: C25H24N2O4S

MW: 448.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	448.5
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	448.14567842
Monoisotopic Mass	448.14567842
Topological Polar Surface Area	90.8 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	592
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
S0821-25mg	Pamicogrel
A22696-100	Pamicogrel 100mg
A22696-200	Pamicogrel 200mg
A22696-50	Pamicogrel 50mg
A22696-25	Pamicogrel 25mg
A22696-10	Pamicogrel 10mg
A22696-5	Pamicogrel 5mg
A22696-2	Pamicogrel 2mg
A22696-10mM-D	Pamicogrel 10mM * 1mL in DMSO

Pamicogrel

Chemical Information

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