diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Basic Information

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CAS Number

36923-21-4

Molecular Formula

C20H18N2O3S

Molecular Weight

366.44 g/mol

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 Amines

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

Basic Physical Properties

Melting Point

164.0 to 168.0 deg-C

Boiling Point

587.8°C at 760 mmHg

Flash Point

309.3 °C

Refractive Index

1.701

SMILES

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C1C=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O3S/c21-16-18(23)22-15(11-12-26-19(16)22)20(24)25-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16-17,19H,12,21H2/t16-,19-/m1/s1

InChIKey

NYYBPASOTOAXQW-VQIMIIECSA-N

LogP

2.4455

Topological Polar Surface Area

72.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

564

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

D5234
DS-5232
Benzhydryl (6R,7R)-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MFCD23701579
NYYBPASOTOAXQW-VQIMIIECSA-N
Z3235032372
EN300-6478644
7beta-amino-ceph-3-em-4-carboxylic acid diphenylmethyl ester
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-8-oxo-,diphenylmethyl ester, (6R,7R)-
7beta-amino-3-cephem-4-carboxylic acid benzhydryl ester
(6R,7R)-Benzhydryl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SCHEMBL10428924
7beta-amino-3-cephem-4-carboxylic acid diphenylmethyl ester
(6R,7R)-Benzhydryl7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CS-0156526
A823454
C20H18N2O3S
Diphenylmethyl 7beta-Amino-3-cephem-4-carboxylate
AKOS016009411
(6R,7R)-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Benzhydryl Ester
DIPHENYLMETHYL (6R,7R)-7-AMINO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
36923-21-4
Diphenylmethyl 7β-Amino-3-cephem-4-carboxylate
7-AICA
7-AMINO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLICACID DIPHENYLMETHYL ESTER FOR CEFTIBUTEN
benzhydryl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7&beta
7β-Amino-3-cephem-4-carboxylic Acid Diphenylmethyl Ester
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-, diphenylmethyl ester, (6R-trans)-
Diphenylmethyl 7b-amino-3-cephem-4-carboxylate
Benzhydryl (7S)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

MDL Number

MFCD23701579

Customs Code

3003201900

FAQ

What is diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 36923-21-4)?

Diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, also known as AZD9291, is a chemical compound with the CAS number 36923-21-4. This compound possesses a unique molecular structure characterized by a bicyclic backbone with a thiazole ring and an amino group attached to a 2-oxo-7-amino-6,7-dihydro-1H-pyrido[2,3-b]indole derivative. It is commonly used in pharmaceutical research for its potential anti-cancer properties.

What are the main uses of diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 36923-21-4)?

Diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is primarily used in pharmaceutical research, particularly in the development of cancer treatments. It shows promise in targeting specific cancer cells and has been studied for its potential to inhibit tumor growth.

Is diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 36923-21-4) safe?

The safety of diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 36923-21-4) depends on its intended use and application. While it has shown promising results in targeted cancer therapies, it requires careful handling and monitoring due to its potential toxicity. Proper safety measures, including personal protective equipment and appropriate storage conditions, should always be followed in laboratory settings.

How should diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 36923-21-4) be stored?

Diphenylmethyl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 36923-21-4) should be stored in a tightly sealed container at controlled room temperature, away from direct sunlight and heat sources. It is crucial to maintain a dry environment to prevent degradation. Ensure the storage area is well-ventilated and access is restricted to authorized personnel only.