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BI-D1870

CAT: 0607-B2227-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B2227-10Size:10 mg
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Description
P90 RSK inhibitor,ATP-competitive and cell-permeable
CAS Number
501437-28-1
Product Name Alternative
2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one
Field of Research
MAPK Signaling Raf PI3K Akt mTOR Signaling S6 Kinase
Purity
0.9914
Form
A solid
Solubility
insoluble in H2O; ≥19.55 mg/mL in DMSO; ≥2.5 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)C
Molecular Formula
C19H23F2N5O2
Molecular Weight
391.42
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

BI-D1870

structure in first source

CAS Number501437-28-1
PubChem CID25023738
IUPAC Name2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one
Molecular FormulaC19H23F2N5O2
Molecular Weight391.4
XLogP3.6
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity542
SMILES
CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)C
InChI
InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
InChIKey
DTEKTGDVSARYDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BI-D1870
CAS: 501437-28-1
CID: 25023738
Formula: C19H23F2N5O2
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass391.18198132
Monoisotopic Mass391.18198132
Topological Polar Surface Area81.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity542
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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CatalogName
MBS385283-01BI-D1870

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