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Kinase modulator-1

CAT: 0013-GTR19264566-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264566-01Size:50 mg
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Description
Kinase modulator-1 (P142, MS: m/z 445) is a kinase regulator that inhibits Bcr-Abl activity, specifically targeting drug-resistant mutant kinases such as T315IBcr-Abl. It is applicable for research in cancers like chronic myeloid leukemia (CML) .
CAS Number
927697-17-4
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
O=C (OC) NC=1C=CC (=CC1C (=O) N (C) C) C2=CN=C3NC=C (C=4C=CC=CC4OC) C3=C2
Molecular Formula
C25H24N4O4
Molecular Weight
444.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
CAS Number927697-17-4
PubChem CID59700210
IUPAC Namemethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
Molecular FormulaC25H24N4O4
Molecular Weight444.5
XLogP4.1
Topological Polar Surface Area96.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity689
SMILES
CN(C)C(=O)C1=C(C=CC(=C1)C2=CC3=C(NC=C3C4=CC=CC=C4OC)N=C2)NC(=O)OC
InChI
InChI=1S/C25H24N4O4/c1-29(2)24(30)19-11-15(9-10-21(19)28-25(31)33-4)16-12-18-20(14-27-23(18)26-13-16)17-7-5-6-8-22(17)32-3/h5-14H,1-4H3,(H,26,27)(H,28,31)
InChIKey
RSUNHHMASYBAOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
CAS: 927697-17-4
CID: 59700210
Formula: C25H24N4O4
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass444.17975526
Monoisotopic Mass444.17975526
Topological Polar Surface Area96.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity689
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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Alternative Products

CatalogName
T212378-01Kinase modulator-1
H1827-59BHematopoietic Progenitor Kinase 1 (HPK1, Mitogen-activated Protein Kinase Kinase Kinase Kinase 1, MAP4K1, MAPK/ERK Kinase Kinase Kinase 1, MEK Kinase Kinase 1, MEKKK 1)
323584MAP4K1 (Mitogen-activated protein kinase kinase kinase kinase 1, EC 2.7.11.1, MAPK/ERK kinase kinase kinase 1, MEK kinase kinase 1, MEKKK 1)
M3949-71FMAP4K1 (Mitogen-activated Protein Kinase Kinase Kinase Kinase 1, MAPK/ERK Kinase Kinase Kinase 1, MEK Kinase Kinase 1, MEKKK 1, Hematopoietic Progenitor Kinase, HPK1) discontinued
319519-01HPK1 (MAP4K1, Mitogen-activated protein kinase kinase kinase kinase 1, Hematopoietic progenitor kinase, MAPK/ERK kinase kinase kinase 1, MEK kinase kinase 1, MEKKK 1)
MBS6004364-01MAP4K1 (Mitogen-activated Protein Kinase Kinase Kinase Kinase 1, MAPK/ERK Kinase Kinase Kinase 1, MEK Kinase Kinase 1, MEKKK 1, Hematopoietic Progenitor Kinase, HPK1)
H1827-59B-PHematopoietic Progenitor Kinase 1, Control Peptide (HPK1, Mitogen-activated Protein Kinase Kinase Kinase Kinase 1, MAP4K1, MAPK/ERK Kinase Kinase Kinase 1, MEK Kinase Kinase 1, MEKKK 1) discontinued
228331PXK (PX Serine/Threonine Kinase, PX Ser/Thr Kinase v2, Modulator of Na, K-ATPase, MONaKA) discontinued
MBS6488256-01MAP4K1, CT (Mitogen-activated Protein Kinase Kinase Kinase Kinase 1, MAPK/ERK Kinase Kinase Kinase 1, MEK Kinase Kinase 1, MEKKK 1, Hematopoietic Progenitor Kinase, HPK1) (PE)
M3949-71BMAP4K1, CT (Mitogen-activated Protein Kinase Kinase Kinase Kinase 1, MAPK/ERK Kinase Kinase Kinase 1, MEK Kinase Kinase 1, MEKKK 1, Hematopoietic Progenitor Kinase, HPK1)

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