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SR-4835

CAT: 1410-M21578-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M21578-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SR-4835 is a highly selective dual inhibitor of CDK12 and CDK13 (CDK12: IC50=99 nM Kd=98 nM; CDK13: Kd=4.9 nM) which disables triple-negative breast cancer (TNBC) cells.
CAS Number
2387704-62-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
499.36
Molecular Formula
C21H20Cl2N10O
Notes
Research use only, not for human use.
Receptor
CDK

Chemical Information

SR-4835
CAS Number2387704-62-1
PubChem CID139600338
IUPAC NameN-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-ylpurin-6-amine
Molecular FormulaC21H20Cl2N10O
Molecular Weight499.4
XLogP2.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity704
SMILES
CN1C=C(C=N1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)NCC5=NC6=CC(=C(C=C6N5)Cl)Cl
InChI
InChI=1S/C21H20Cl2N10O/c1-31-10-12(8-26-31)33-11-25-18-19(29-21(30-20(18)33)32-2-4-34-5-3-32)24-9-17-27-15-6-13(22)14(23)7-16(15)28-17/h6-8,10-11H,2-5,9H2,1H3,(H,27,28)(H,24,29,30)
InChIKey
FSELUFUYNUNZKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR-4835
CAS: 2387704-62-1
CID: 139600338
Formula: C21H20Cl2N10O
MW: 499.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass498.1198607
Monoisotopic Mass498.1198607
Topological Polar Surface Area115 Ų
Heavy Atom Count34
Formal Charge0
Complexity704
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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A22337-100SR-4835 100mg
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