(2Z)-7-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoic acid | CAS No. 82009-34-5

(2Z)-7-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoic acid

Basic Information

CAS Number

82009-34-5

Molecular Formula

C16H26N2O5S

Molecular Weight

358.46 g/mol

AD

Basic Physical Properties

Melting Point

149-158°C

Boiling Point

655.5°C at 760 mmHg

CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C

InChI

InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1

InChIKey

DHSUYTOATWAVLW-WFVMDLQDSA-N

LogP

1.4326000000000003

Topological Polar Surface Area

129.72 Ų

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

519

Safety Information

View Safety Information

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

  • D07698
  • MK 0791
  • Cilastastin
  • CS-8177
  • AC-268
  • Q418201
  • EX-A4954
  • AKOS015962144
  • SR-01000781260-3
  • 81129-83-1
  • Cilastatine [French]
  • GTPL5166
  • DB01597
  • C01675
  • CHEMBL766
  • Cilastin
  • (L)-7-(2-Amino-2-carboxy-ethylsulfanyl)-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid
  • DS-11972
  • Cilastatine
  • (Z)-7-(((R)-2-amino-2-carboxyethyl)thio)-2-((S)-2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoic acid
  • (Z)-7-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropyl]carbonylamino]hept-2-enoic acid
  • MK0791
  • CILASTATIN [INN]
  • (Z)-7-((R)-2-Amino-2-carboxy-ethylsulfanyl)-2-[((S)-2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid
  • HY-A0166
  • DTXSID8048238
  • 141A6AMN38
  • MK-791
  • Cilastatin acid
  • BIDD:GT0782
  • CHEBI:3697

MDL Number

MFCD00867379

FAQ

What is (2Z)-7-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoic acid (CAS: 82009-34-5)?

This compound, with the CAS number 82009-34-5, is a complex organic molecule containing multiple functional groups, including amino, carboxylic acid, and sulfanyl groups. It is a derivative of heptanoic acid, featuring a cyclopropyl ring and a chiral center. Its structure suggests potential applications in biochemistry and pharmaceutical research, though specific properties and characteristics are not widely documented in public sources.

What are the main uses of (2Z)-7-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoic acid (CAS: 82009-34-5)?

The compound is primarily used in pharmaceutical research for its potential biological activity, especially in the development of drugs targeting specific enzymatic pathways. It may also find applications in organic synthesis and as a precursor for other complex molecules. However, due to limited public information, its industrial or commercial use remains unclear.

Is (2Z)-7-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoic acid (CAS: 82009-34-5) safe?

Safety data for this compound is not extensively available, but as with many complex organic chemicals, it should be handled with care. It is advisable to follow standard laboratory safety protocols, including the use of personal protective equipment (PPE) and ensuring proper ventilation. Always consult safety data sheets (SDS) for detailed information on toxicity and handling precautions.

How should (2Z)-7-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoic acid (CAS: 82009-34-5) be stored?

This compound should be stored in a cool, dry, and dark place to maintain stability. It is recommended to keep it in a tightly sealed container, away from moisture and light exposure. Storage conditions may also require a controlled temperature, typically between 2°C to 8°C, depending on its specific chemical sensitivity. Always follow manufacturer guidelines for optimal storage.

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