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(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide | CAS No. 192725-17-0

(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide

Basic Information

Chemical_Structure_Of
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CAS Number

192725-17-0

Molecular Formula

C37H48N4O5

Molecular Weight

628.81 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

Melting Point

113-118°C

Boiling Point

924.1°C at 760 mmHg

Solubility

DMSO: soluble20mg/mL, clear

SMILES

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CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O

InChI

InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1

InChIKey

KJHKTHWMRKYKJE-SUGCFTRWSA-N

LogP

4.328140000000005

Topological Polar Surface Area

120.00000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

940

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

Stability

Hygroscopic

Synonyms & References

English

  • ABT 378
  • s1380
  • LOPINAVIR [MI]
  • LOPINAVIR (USP-RS)
  • GTPL11504
  • Koletra
  • Lopinavir
  • A 157378.0
  • Lopinavir 100 microg/mL in Acetonitrile
  • (2S)-N-[(1S,3S,4S)-1-benzyl-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-5-phenylpentyl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
  • NCGC00164576-04
  • Lopinavir & PLGA
  • MLS003915624
  • MLS004774152
  • CAS-192725-17-0
  • (2S)-N-[(2R,4S,5S)-5-[[2-(2,6-DIMETHYLPHENOXY)ACETYL]AMINO]-4-HYDROXY-1,6-DIPHENYL-HEXAN-2-YL]-3-METHYL-2-(2-OXO-1,3-DIAZINAN-1-YL)BUTANAMIDE
  • (2S)-N-((1S,3S,4S)-1-benzyl-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-5-phenylpentyl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
  • CHEMBL729
  • HB7108
  • CS-2077
  • ABT-378
  • LOPINAVIR [EP MONOGRAPH]
  • CCG-270285
  • LOPINAVIR [USP-RS]
  • Lopinavir (JAN/USP/INN)
  • Lopinavirum
  • SW219767-1
  • NCGC00164576-02
  • Lopinavir-
  • 1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-alpha-(1-methylethyl)-2-oxo-, (alphaS)- (9CI)
  • C37H48N4O5

MDL Number

MFCD22628840

FAQ

What is (2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (CAS: 192725-17-0)?
This is a complex organic compound with the CAS number 192725-17-0. It is a butanamide derivative featuring multiple chiral centers and functional groups, including hydroxyl, amino, and pyrimidinyl moieties. The compound's structure suggests potential applications in pharmaceutical research, particularly in the development of drug molecules targeting specific biological pathways.

What are the main uses of (2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (CAS: 192725-17-0)?
The compound is primarily used in pharmaceutical research for its potential as a lead molecule in drug development. It may be involved in the synthesis of medications targeting neurological or inflammatory conditions. Due to its complex structure, it is also used in chemical studies to explore molecular interactions and biological activity.

Is (2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (CAS: 192725-17-0) safe?
Safety data for this compound is limited, but as a complex organic molecule, it should be handled with care. Precautions include wearing personal protective equipment (PPE) and ensuring proper ventilation. It is advisable to follow standard chemical safety protocols and consult safety data sheets (SDS) for detailed information on toxicity and exposure risks.

How should (2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (CAS: 192725-17-0) be stored?
The compound should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is recommended to keep it in a sealed, airtight container to prevent moisture and contamination. Avoid exposure to light and ensure proper labeling to maintain stability and safety during storage.

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Supplier Information

(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide — Shenzen Excellero Biotechnology Co., Ltd.

Shenzen Excellero Biotechnology Co., Ltd.

CAS Number: 192725-17-0

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HangZhouPanYu Chemical Co Ltd

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Hubei Tuopan Chemical Co., Ltd.

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Shanghai Tengzhun BioScience Co., Ltd.

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(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide — TianMenHengChang Chemical Co Ltd

TianMenHengChang Chemical Co Ltd

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Yiming Biotechnology (Shanghai) Co., Ltd

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AnZhouJiaRuiKeJi Development Co Ltd

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(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

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HuBeiJianYuan Chemical Co Ltd

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ShangHaiYiJi Industrial Co Ltd

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(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

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