1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate

Basic Information

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CAS Number

1004316-88-4

Molecular Formula

C40H53N7O5S2

Molecular Weight

776.04 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

SMILES

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CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc3ccccc3)NC(=O)OCc4cncs4)Cc5ccccc5)cs1

InChI

InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1

InChIKey

ZCIGNRJZKPOIKD-CQXVEOKZSA-N

LogP

6.000700000000006

Topological Polar Surface Area

138.02 Å²

Hydrogen Bond Donor/Acceptor

3 / 12

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

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

Synonyms & References

English

cobicistat
Cobicistat (GS-9350)
Cobicistat,GS-9350
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Thiazol-5-ylmethyl (2R,5R)-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-morpholinobutanamido)-1,6-diphenylhexan-2-ylcarbamate
Cobicistat [USAN]
GS 9350
GS-9350
Tybost (TN)
UNII-LW2E03M5PG
(3R,6R,9S)-12-Methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoic acid 5-thiazolylmethyl ester
Tybost
Cobiclstat
Cobicistat D8
Thiazol-5-ylmethyl (2R,5R)-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-mor
Cobicistat
Thiazol-5-yl-methyl ((2R,5R)-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-morpholinobutanamido)-1,6-diphenylhexan-2-yl)carbamate

MDL Number

MFCD18251449

FAQ

What are the physical and chemical properties of 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate (CAS: 1004316-88-4)?

This compound is a crystalline solid with a molecular weight of approximately 1000 g/mol. It has a low solubility in water but is soluble in organic solvents. Chemically, it is stable under normal conditions but may react with strong acids or bases. It is not flammable and has a moderate reactivity with nucleophiles.

How is 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate (CAS: 1004316-88-4) typically synthesized?

This compound is synthesized through multi-step reactions involving the condensation of amino acids and thiazole derivatives. Common methods include the use of coupling reagents like HATU or EDC, and subsequent acylation and activation steps. The yield is typically around 70-80%, and the process requires careful control of reaction conditions to achieve the desired product.

What industries use 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate (CAS: 1004316-88-4)?

This compound is used in the pharmaceutical industry for drug development, particularly in the synthesis of complex organic molecules. It may also find applications in polymer science for the development of advanced materials and in the sensor industry for its potential as a functional molecule.

What precautions should be taken when handling 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate (CAS: 1004316-88-4)?

When handling this compound, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Ensure proper disposal and storage according to safety data sheet (SDS) guidelines. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly cleaned and ventilated.

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1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate | CAS No. 1004316-88-4

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate (CAS: 1004316-88-4)?

How is 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate (CAS: 1004316-88-4) typically synthesized?

What industries use 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate (CAS: 1004316-88-4)?

What precautions should be taken when handling 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate (CAS: 1004316-88-4)?

Related Compounds

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