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MK 8776

CAT: 0013-GTR19160886-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160886-01Size:200 mg
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Description
MK 8776 (SCH 900776) is a potent and functionally selective CHK1 inhibitor (IC50=3 nM) with minimal intrinsic antagonistic properties; also inhibits CDK2 with IC50 of 160 nM, weak activity for CHK2 and no significant inhibition of cytochrome P450 isoforms; induces dose-dependent suppression of CHK1 pS296 and concomitant accumulation of phospho-RPA signal in U2OS cells; interacts synergistically with DNA antimetabolite agents in vitro and in vivo to selectively induce dsDNA breaks and cell death in the A2780 xenograft model.Blood Cancer Phase 2 Discontinued.
CAS Number
891494-63-6
Product Name Alternative
SCH 900776
Purity
>98% (HPLC)
Solubility
DMSO: 3 mg/mL (7.97 mM) ; Ethanol: <1 mg/mL; Water: <1 mg/mL (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
NC1=C (Br) C ([C@H]2CNCCC2) =NC3=C (C4=CN (C) N=C4) C=NN13
Molecular Formula
C15H18BrN7
Molecular Weight
376.25
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
6-bromo-3- (1-methyl-1H-pyrazol-4-yl) -5- (3R) -3-piperidinyl-pyrazolo[1,5-a]pyrimidin-7-amine

Chemical Information

Sch-900776

Sch 900776 has been used in trials studying the treatment of Neoplasms, Hodgkin Disease, Adult Erythroleukemia, Lymphoma, Non-Hodgkin, and Myelogenous Leukemia, Acute, among others.

CAS Number891494-63-6
PubChem CID46239015
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
Molecular FormulaC15H18BrN7
Molecular Weight376.25
XLogP0.8
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity425
SMILES
CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4
InChI
InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1
InChIKey
GMIZZEXBPRLVIV-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Sch-900776
CAS: 891494-63-6
CID: 46239015
Formula: C15H18BrN7
MW: 376.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.25
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass375.08071
Monoisotopic Mass375.08071
Topological Polar Surface Area86.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity425
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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