Adavosertib | CAS No. 955365-80-7

Adavosertib

Basic Information

View in Editor

CAS Number

955365-80-7

Molecular Formula

C27H32N8O2

Molecular Weight

500.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.292

SMILES

View in Editor

CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O

InChI

InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)

InChIKey

BKWJAKQVGHWELA-UHFFFAOYSA-N

LogP

2.8860000000000015

Topological Polar Surface Area

104.34000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

795

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
MK-1775
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
2-ALLYL-1-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-2-YL)-6-(4-(4-METHYLPIPERAZIN-1-YL)PHENYLAMINO)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-...
2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
AZD-1775
MK 1775
MK-1775 (MK 1775, MK1775)
MK-1775, AZD1775
AZD1775
2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
Adavosertib
MK1775
AZD 1775
K2T6HJX3I3
1-[6-(2-
Adavosertib MK-1775
1,2-Dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)-3H-pyrazolo[3,4-d]pyrimidin-3-one (ACI)
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
1-[6-(2-Hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
2-Allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
WEE 1-1
2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
955365-80-7
1-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-2-YL)-6-(4-(4-METHYLPIPERAZIN-1-YL)ANILINO)-2-(PROP-2-EN-1-YL)-1,2-DIHYDRO-3H-PYRAZOLO(3,4-D)PYRIMIDIN-3-ONE
BRD-K54256913-001-01-2
Adavosertib (USAN)
MK-1775 (AZD-1775)
AS-17001
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one

MDL Number

MFCD17215200

FAQ

What is Adavosertib (CAS: 955365-80-7)?

Adavosertib is a small molecule CDK1/2 inhibitor with the chemical formula C19H21N5O3S. It is a white to off-white powder, highly soluble in DMSO, and exhibits stability under normal laboratory conditions. Adavosertib is primarily used in cancer research and therapy, targeting cell cycle regulation by inhibiting cyclin-dependent kinases.

What are the main uses of Adavosertib (CAS: 955365-80-7)?

Adavosertib (CAS: 955365-80-7) is mainly used in pharmaceutical research for cancer treatment, particularly in clinical trials for solid tumors and hematological malignancies. It also serves as a tool compound in biochemical studies to investigate cell cycle mechanisms and kinase inhibition pathways.

Is Adavosertib (CAS: 955365-80-7) safe?

Adavosertib is generally considered safe when handled properly, but it requires caution during use. Safety data indicates potential toxicity via inhalation or skin contact, so protective measures like gloves and ventilation are recommended. Regulatory bodies such as the FDA are evaluating its safety profile for therapeutic applications.

How should Adavosertib (CAS: 955365-80-7) be stored?

Adavosertib should be stored in a cool, dry place (15-25°C), protected from light, and kept in a sealed container to maintain stability. For long-term storage, refrigeration (2-8°C) is advised. Avoid exposure to moisture and ensure proper labeling to prevent contamination.