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2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | CAS No. 1268524-70-4

2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate

Basic Information

Chemical_Structure_Of
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CAS Number

1268524-70-4

Molecular Formula

C23H25ClN4O2S

Molecular Weight

457 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
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
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

DMSO: soluble20mg/mL, clear

SMILES

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Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c4ccc(Cl)cc4

InChI

InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1

InChIKey

DNVXATUJJDPFDM-KRWDZBQOSA-N

LogP

5.531360000000006

Topological Polar Surface Area

69.37 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

706

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

  • (S)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
  • (+)-JQ-1
  • (S)-(+)-Tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]
  • (+)?-?JQ-?1
  • (＋)-JQ1
  • (S)-(+)-Tert-butyl 2
  • (S)-(+)-Tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)aceta...
  • (S)-(+)-Tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
  • (S)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno-[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
  • 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid,
  • JQ1
  • (6s)-6-(2-Tert-Butoxy-2-Oxoethyl)-4-(4-Chlorophenyl)-2,3,9-Trimethyl-6,7-Dihydrothieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepin-10-Ium
  • (S)-JQ1
  • 3mxf
  • 4flp
  • CHEMBL1957266
  • JQ-1
  • SureCN881227
  • UNII-1MRH0IMX0W
  • 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-
  • JQ1 compound
  • Bromodomain Inhibitor, (+)-JQ1
  • 1MRH0IMX0W
  • (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate
  • (S)-te
  • (S)-tert-butyl2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
  • (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate

MDL Number

MFCD22683748

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate (CAS: 1268524-70-4)?
2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate is a crystalline solid with a molecular weight of approximately 621.8 g/mol. It has a low solubility in water and is soluble in organic solvents such as ethanol and acetone. This compound exhibits good stability under normal conditions but is reactive towards strong bases and acids.

How is 2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate (CAS: 1268524-70-4) typically synthesized?
2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate is synthesized using a multi-step process involving diazepine formation, thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine formation, and acetylation. Common catalysts include palladium or platinum complexes, and the reaction typically yields a product with a high degree of purity and selectivity.

What industries use 2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate (CAS: 1268524-70-4)?
This compound is primarily used in the pharmaceutical industry for the development of new drugs. It may also find applications in the production of polymers and as a precursor in the synthesis of other compounds in the chemical industry. Due to its unique chemical structure, it could also be used in the manufacturing of electronic and semiconductor materials.

What precautions should be taken when handling 2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate (CAS: 1268524-70-4)?
When handling 2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coat. Ensure the use of a fume hood during handling to minimize inhalation exposure. Spills should be handled by professional hazmat personnel, and a safety data sheet (SDS) should be consulted for specific guidelines.

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2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate — Sha Yuan Technology (Shanghai) Co., Ltd.

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2-Methyl-2-propanyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate — HePeng （ ShangHai ） Biotechnology Co Ltd

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