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BBI-355

CAT: 0013-GTR19257857-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257857-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BBI-355 is an oral, potent, and selective small molecule CHK1 inhibitor with an IC50 of 0.3 nM. It exhibits significant antitumor activity, both as a monotherapy and in combination with targeted therapies, across various ecDNA+ oncogene-amplified tumor models.
CAS Number
2871056-82-3
Field of Research
Cell Biology
Smiles
O (C1=C (C (OC) =CC=C1) C2=CC (NC=3C=NC (C#N) =CN3) =NN2) [C@@H]4C[C@@H] (N) C4
Molecular Formula
C19H19N7O2
Molecular Weight
377.40
Storage Conditions
-20°C
Notes
For research use only.

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
Loading 3D structure...
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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