Pictilisib | CAS No. 957054-30-7

Pictilisib

Basic Information

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CAS Number

957054-30-7

Molecular Formula

C23H27N7O3S2

Molecular Weight

513.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Physical State

White to Yellow Solid

Density

1.5000

Refractive Index

1.75

SMILES

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CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6

InChI

InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)

InChIKey

LHNIIDJUOCFXAP-UHFFFAOYSA-N

LogP

2.1484000000000005

Topological Polar Surface Area

107.55000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

832

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Thieno[3,2-d]pyrimidine, 2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-
GDC-0941
2-(1H-Indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine
GDC 0941
GDC-0941 (RG7321,Pictilisib)
GDC-0941bismesylate
Pictilisib
Pictilisib (GDC-0941)
2-(1H-Indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)thieno[3,2-d]pyrimidine
Pictrelisib
GDC0941
ICY00EMP8P
RG7321
4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
2-(1H-Indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmet
2-(1H-Indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)thieno[3,2-d]pyrimidine (ACI)
4-[2-(1H-Indazol-4-yl)-6-[[4-(methylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
GDC 941
GNE 0941
GDC0941(Pictilisib)?
NSC755385
NCGC00187482-01
DB11663
SB19941
BRD-K52911425-001-02-3
PICTILISIB
Thieno(3,2-d)pyrimidine, 2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)-1-piperazinyl]methyl)-4-(4-morpholinyl)-
HMS3654K13
GD9

MDL Number

MFCD11616196

FAQ

What are the physical and chemical properties of Pictilisib (CAS: 957054-30-7)?

Pictilisib (CAS: 957054-30-7) is a crystalline compound with a molecular weight of approximately 444.34 g/mol. It is sparingly soluble in water and ethanol. Pictilisib is reactive towards nucleophiles and is known to form stable complexes with these reagents.

How is Pictilisib (CAS: 957054-30-7) typically synthesized?

Pictilisib (CAS: 957054-30-7) is synthesized through a multi-step process involving the protection of an alcohol, followed by a Michael addition and subsequent deprotection. The reaction is typically catalyzed by a mild acid and proceeds with high selectivity, yielding up to 90% purity.

What industries use Pictilisib (CAS: 957054-30-7)?

Pictilisib (CAS: 957054-30-7) is primarily used in the pharmaceutical industry for its role as an inhibitor of phosphoinositide 3-kinase. It is also explored in research for its potential applications in polymer synthesis and sensor technology.

What precautions should be taken when handling Pictilisib (CAS: 957054-30-7)?

Pictilisib (CAS: 957054-30-7) should be handled in a well-ventilated area with appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight and sources of heat. In case of spill, the area should be immediately cleaned with water and appropriate safety measures should be followed. Refer to the Material Safety Data Sheet (MSDS) for detailed guidelines.