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N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D -valinamide | CAS No. 110417-88-4

N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D -valinamide

Basic Information

Chemical_Structure_Of
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CAS Number

110417-88-4

Molecular Formula

C42H68N6O6S

Molecular Weight

785.11 g/mol

AD

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

Boiling Point

903.6°C at 760 mmHg

SMILES

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CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35+,36-,37-,38+/m0/s1

InChIKey

OFDNQWIFNXBECV-KQBQIQHDSA-N

LogP

5.190400000000008

Topological Polar Surface Area

133.41 Ų

Hydrogen Bond Donor/Acceptor

2 / 12

Complexity

1220

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

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

  • DLS 10
  • CCRIS 7310
  • L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
  • F77619
  • NSC 376128
  • HY-15580
  • EX-A3357
  • BDBM50216333
  • AMY30659
  • Q27104943
  • EI946JT51X
  • L-Valinamide, N,N-dimethyl-L-valyl-N-(2-methoxy-4-(2-(1-methoxy-2-methyl-3-oxo-3-((2-phenyl-1-(2-thiazolyl)ethyl)amino)propyl)-1-pyrrolidinyl)-1-(1-methylpropyl)-4-oxobutyl)-N-methyl-, (2S-(1(1R*(R*),2S*),2R*(1S*,2S*,3(R*))))-
  • (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
  • AKOS040763913
  • NS00011842
  • UNII-EI946JT51X
  • DB12730
  • N,N-DIMETHYL-VAL-N-(2-METHOXY-4-(2-(1-METHOXY-2-METHYL-3-OXO-3-((2-PHENYL-1-(2-THIAZOLYL)ETHYL)AMINO)PROPYL)-1-PYRROLIDINYL)-1-(1-METHYLPROPYL)-4-OXOBUTYL)-N-METHYL-VALINAMIDE (2S-(1(1R*(R*),2S*),2R*(1S*,2S*,3(R*))))
  • (S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N-((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-2-methyl-3-oxo-3-(((S)-2-phenyl-1-(thiazol-2-yl)ethyl)amino)propyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)-N,3-dimethylbutanamide
  • Dolostatin 10
  • Dolastatin 10
  • AS-81566
  • SR6
  • DTXSID70911674
  • Dolastin
  • CHEMBL39541
  • 110417-88-4
  • SCHEMBL6423272
  • Dolastatin-10
  • NSC-376128
  • CS-1825

MDL Number

MFCD00870128

FAQ

What are the physical and chemical properties of N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D-valinamide (CAS: 110417-88-4)?
This compound is a white crystalline solid with a molecular weight of approximately 850 Da. It has poor water solubility but is soluble in organic solvents like methanol and DMSO. The compound exhibits low reactivity under normal conditions but is prone to hydrolysis. It is stable under acidic and basic conditions but can degrade upon exposure to light.

How is N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D-valinamide (CAS: 110417-88-4) typically synthesized?
The compound is synthesized via multistep reactions involving peptide coupling, acylation, and cyclization. Key steps include the synthesis of the thiazole-containing amino acid, followed by coupling with the valine derivative. The final product is obtained through a series of purification steps, including chromatography and crystallization. Typical yield is around 50-60%.

What industries use N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D-valinamide (CAS: 110417-88-4)?
This compound is primarily used in pharmaceuticals, specifically in the development of novel antimicrobial agents. It may also find applications in the production of certain sensors and as a building block in the synthesis of complex organic molecules.

What precautions should be taken when handling N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D-valinamide (CAS: 110417-88-4)?
Handle the compound in a well-ventilated area or fume hood due to its potential to release volatile components. Use gloves, goggles, and a lab coat. Avoid skin contact and inhalation. In case of spill, neutralize with an appropriate base and clean with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.

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Tianjin Kapushi Technology Co., Ltd.

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N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D -valinamide — Chengdu Mohe Dulong Medicinal Technology Co., Ltd.

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N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D -valinamide — ShangHaiJiZhiShengHua Technology Co Ltd

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Beijing Solabe Technology Co., Ltd.

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N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D -valinamide — Shanghai Yinxin Laboratory Equipment Co., Ltd.

Shanghai Yinxin Laboratory Equipment Co., Ltd.

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Shanghai Aladdin Bio-Technologies Co., Ltd.

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N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D -valinamide — ShangHaiMaiRuiErShengHua Technology Co Ltd

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Shanghai Tengzhun BioScience Co., Ltd.

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Shanghai Chupeptide Biotechnology Co., Ltd.

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N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-D -valinamide — Hangzhou Guidance Biological Technology Co., Ltd.

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