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Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate | CAS No. 81129-83-1

Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate

Basic Information

Chemical_Structure_Of
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CAS Number

81129-83-1

Molecular Formula

C16H25N2NaO5S

Molecular Weight

380.4 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Amines
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

158-161°C

Boiling Point

655.5 °C at 760 mmHg

Flash Point

87℃

SMILES

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CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H26N2O5S.Na/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);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1

InChIKey

QXPBTTUOVWMPJN-QBNHLFMHSA-M

LogP

1.18910

pKa

pKa1 2.0; pKa2 4.4; pKa3 9.2(at 25℃)

Complexity

525

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

Synonyms & References

English

  • QXPBTTUOVWMPJN-QBNHLFMHSA-M
  • HMS2051L07
  • 81129-83-1
  • DTXCID0026915
  • sodium;(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate
  • [R-[R*,S*-(Z)]]-7-[(2-Amino-2-carboxyethyl)thio]-2- [[(2,2-dimethylcyclopropyl)carbonyl]amino]-2- heptenoic acid monosodium salt
  • Tox21_112591
  • NCGC00167838-01
  • L-642957
  • CCG-100932
  • CILASTATIN Na
  • 82009-34-5 (acid)
  • Sodium;(Z)-7-[(2S)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate
  • D02194
  • MK-791
  • CAS-81129-83-1
  • EX-A4989
  • Sodium(Z)-7-(((R)-2-amino-2-carboxyethyl)thio)-2-((S)-2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoate
  • (2Z)-7-[[(2R)-2-Amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid sodium salt
  • DTXSID2046915
  • Cilastatino
  • Cilastatin sodium, Bio-X
  • CHEMBL1201057
  • Tox21_112804
  • Cilastatin sodium (JP17/USP)
  • AKOS015962007
  • Cilastatin sodium 100 microg/mL in Water
  • Sodium (Z)-7-(((R)-2-amino-2-carboxyethyl)thio)-2-((S)-2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoate
  • NCGC00181346-01
  • HMS2233J15
  • CHEBI:59511

MDL Number

MFCD08459332

FAQ

What is Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate (CAS: 81129-83-1)?
Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate (CAS: 81129-83-1) is a complex organic compound that contains a sulfanyl group, an amino acid backbone, and a cyclopropyl ring. It is known for its structural complexity and potential biological activity. The compound is typically found in pharmaceutical research due to its unique functional groups and potential therapeutic applications.

What are the main uses of Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate (CAS: 81129-83-1)?
Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate (CAS: 81129-83-1) is primarily used in pharmaceutical research as a potential drug candidate. Its structure, which includes both amino and sulfanyl functionalities, makes it a valuable compound for studying enzyme inhibition and biological interactions. It may also be used in organic synthesis and as a precursor for other bioactive molecules.

Is Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate (CAS: 81129-83-1) safe?
The safety of Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate (CAS: 81129-83-1) depends on its application and exposure conditions. As a research compound, it is generally handled under controlled laboratory settings. It is important to follow standard safety protocols, such as wearing protective gloves and goggles, and ensuring proper ventilation to minimize exposure risks. Safety data is limited, so consultation with toxicological experts is recommended.

How should Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate (CAS: 81129-83-1) be stored?
Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate (CAS: 81129-83-1) should be stored in a cool, dry, and dark place, preferably at 2-8°C. It should be kept in a sealed container to prevent moisture and contamination. Avoid exposure to air and light to maintain its chemical stability and potency. Proper storage is essential for preserving its integrity and ensuring safe handling.

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Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate — ShangHaiMaiRuiErShengHua Technology Co Ltd

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