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A 83-01

CAT: 1410-M16535-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M16535-06Size:500 mg
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Description
A potent, selective TGF-beta type I receptor ALK-5, ALK-4 and ALK-7 inhibitor with IC50 of 12, 45 and 7.5 nM, respectively.
CAS Number
909910-43-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
421.5168
Molecular Formula
C25H19N5S
Notes
Research use only, not for human use.
Receptor
ALK4|ALK5|ALK7

Chemical Information

A-83-01

3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide is an organic molecular entity.

CAS Number909910-43-6
PubChem CID16218924
IUPAC Name3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide
Molecular FormulaC25H19N5S
Molecular Weight421.5
XLogP5
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity609
SMILES
CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5
InChI
InChI=1S/C25H19N5S/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18/h2-16H,1H3,(H,28,31)
InChIKey
HIJMSZGHKQPPJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-83-01
CAS: 909910-43-6
CID: 16218924
Formula: C25H19N5S
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass421.13611680
Monoisotopic Mass421.13611680
Topological Polar Surface Area87.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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