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BBI-355

CAT: 1568-C02004-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C02004-04Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2871056-82-3
SKU
C02004-5mg
Target
Chk
Applications
Cell Cycle
Additionnal Information
BBI-355 is an oral, potent, and selective small molecule inhibitor of CHK1 with an IC50 of 0.3 nM. It demonstrates significant anti-tumor activity as a single agent and in combination with targeted therapies in multiple ecDNA+ oncogene amplified tumor models.

Chemical Information

5-[[5-[2-(3-aminocyclobutyl)oxy-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CAS Number2871056-82-3
PubChem CID166147772
IUPAC Name5-[[5-[2-(3-aminocyclobutyl)oxy-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
Molecular FormulaC19H19N7O2
Molecular Weight377.4
XLogP1.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity564
SMILES
COC1=C(C(=CC=C1)OC2CC(C2)N)C3=CC(=NN3)NC4=NC=C(N=C4)C#N
InChI
InChI=1S/C19H19N7O2/c1-27-15-3-2-4-16(28-13-5-11(21)6-13)19(15)14-7-17(26-25-14)24-18-10-22-12(8-20)9-23-18/h2-4,7,9-11,13H,5-6,21H2,1H3,(H2,23,24,25,26)
InChIKey
ZUNOPUCDGHVJOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[[5-[2-(3-aminocyclobutyl)oxy-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CAS: 2871056-82-3
CID: 166147772
Formula: C19H19N7O2
MW: 377.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass377.16002287
Monoisotopic Mass377.16002287
Topological Polar Surface Area135 Ų
Heavy Atom Count28
Formal Charge0
Complexity564
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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