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AC430

CAT: 0931-T70870-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70870-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1361415-84-0
Target
Others, JAK
Related Pathways
JAK/STAT signaling, Chromatin/Epigenetic, Tyrosine Kinase/Adaptors, Angiogenesis, Stem Cells, Others
Bioactivity
AC430 is a potent and specific small molecule inhibitor of janus kinase 2 (JAK2), which has been implicated as a target for therapy in both oncology and autoimmune disease. AC430 is currently being developed by Ambit. In preclinical studies, AC430 has exhibited potency against JAK2 and V617F mutated JAK2 in cell-based models that is at least equivalent to, and in most cases superior to, competing JAK2 inhibitors. In preclinical oncology and autoimmune models, AC430 is well tolerated and has significant efficacy at oral doses as low as 10 mg/kg/day.
Smiles
N(C=1C2=C(N=C([C@@H](O)C3=CC=C(F)C=C3)N1)C=CC=C2)C=4C=C(C)NN4
Molecular Formula
C19H16FN5O
Molecular Weight
349.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ac-430

AC430 has been investigated for the treatment of Rheumatoid Arthritis.

CAS Number1361415-84-0
PubChem CID46892373
IUPAC Name(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
Molecular FormulaC19H16FN5O
Molecular Weight349.4
XLogP3.4
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity461
SMILES
CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C(C4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
InChIKey
DCRWIATZWHLIPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ac-430
CAS: 1361415-84-0
CID: 46892373
Formula: C19H16FN5O
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass349.13388831
Monoisotopic Mass349.13388831
Topological Polar Surface Area86.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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