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A 77-01

CAT: 0931-T2098-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T2098-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
607737-87-1
Target
ALK, TGF-beta/Smad
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Stem Cells
Purity
0.9956
Bioactivity
A 77-01 is a potent inhibitor of the TGF- (beta) type I receptor superfamily activin-like kinase ALK5, with an IC50 of 25 nM.
Smiles
Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Molecular Formula
C18H14N4
Molecular Weight
286.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CAS Number607737-87-1
PubChem CID10469233
IUPAC Name4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
Molecular FormulaC18H14N4
Molecular Weight286.3
XLogP3.1
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity374
SMILES
CC1=NC(=CC=C1)C2=C(C=NN2)C3=CC=NC4=CC=CC=C34
InChI
InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
InChIKey
KJTYZDORHCDZPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CAS: 607737-87-1
CID: 10469233
Formula: C18H14N4
MW: 286.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass286.121846464
Monoisotopic Mass286.121846464
Topological Polar Surface Area54.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity374
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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