(2S,2'S)-N,N'-(1,6-Hexanediylbis{imino[(2S)-1-oxo-3,3-diphenyl-1,2-propanediyl]})bis{1-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)propanoyl]amino}acetyl]-2-pyrrolidinecarboxamide}

Basic Information

View in Editor

CAS Number

1001600-56-1

Molecular Formula

C70H96N10O8

Molecular Weight

1205.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Solubility

Insuluble (3.3E-3 g/L) (25 ºC),

SMILES

View in Editor

CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](C(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C1CCCCC1)NC(=O)[C@@H](NC)C)C1CCCCC1)C

InChI

InChI=1S/C70H96N10O8/c1-47(71-3)63(81)75-59(53-37-21-11-22-38-53)69(87)79-45-27-41-55(79)65(83)77-61(57(49-29-13-7-14-30-49)50-31-15-8-16-32-50)67(85)73-43-25-5-6-26-44-74-68(86)62(58(51-33-17-9-18-34-51)52-35-19-10-20-36-52)78-66(84)56-42-28-46-80(56)70(88)60(54-39-23-12-24-40-54)76-64(82)48(2)72-4/h7-10,13-20,29-36,47-48,53-62,71-72H,5-6,11-12,21-28,37-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,81)(H,76,82)(H,77,83)(H,78,84)/t47-,48-,55-,56-,59-,60-,61-,62-/m0/s1

InChIKey

DPXJXGNXKOVBJV-YLOPQIBLSA-N

LogP

6.741000000000018

Topological Polar Surface Area

239.28 Å²

Hydrogen Bond Donor/Acceptor

8 / 18

Complexity

2030

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

BV-6
BV 6
Dianemycin, monosodium salt
4,4'-(1,6-Hexanediyl)bis[N-methyl-L-alanyl-(2S)-2-cyclohexylglycyl-L-prolyl-beta-phenyl-L-phenylalaninamide
BV6
N,N'-(hexane-1,6-diyl)bis(1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-beta-phenyl-L-phenylalaninamide):trifluoroacetic acid(1:x)
BV-6 free
HMS3653N15
A901715

MDL Number

MFCD28168021

FAQ

What are the physical and chemical properties of (2S,2'S)-N,N'-(1,6-Hexanediylbis{imino[(2S)-1-oxo-3,3-diphenyl-1,2-propanediyl]})bis{1-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)propanoyl]amino}acetyl]-2-pyrrolidinecarboxamide} (CAS: 1001600-56-1)?

The compound crystallizes in a hexagonal form with a high molecular weight due to its complex structure. It has limited solubility in common organic solvents but good solubility in water. Chemically, it shows moderate reactivity towards nucleophiles and electrophiles. Its stability is enhanced by its bulky phenyl groups and cyclohexyl side chains.

How is (2S,2'S)-N,N'-(1,6-Hexanediylbis{imino[(2S)-1-oxo-3,3-diphenyl-1,2-propanediyl]})bis{1-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)propanoyl]amino}acetyl]-2-pyrrolidinecarboxamide} (CAS: 1001600-56-1) typically synthesized?

This compound is synthesized via a multi-step process involving coupling reactions, amidation, and cyclization. Commonly used catalysts include metal complexes, and the overall yield is moderate to good, depending on the purity of starting materials and reaction conditions.

What industries use (2S,2'S)-N,N'-(1,6-Hexanediylbis{imino[(2S)-1-oxo-3,3-diphenyl-1,2-propanediyl]})bis{1-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)propanoyl]amino}acetyl]-2-pyrrolidinecarboxamide} (CAS: 1001600-56-1)?

This compound finds applications in the pharmaceutical industry due to its potential as a drug candidate, and in the polymer industry for its ability to modify the properties of polymers. It is also explored in the sensor and semiconductor industries for its unique electronic and structural properties.

What precautions should be taken when handling (2S,2'S)-N,N'-(1,6-Hexanediylbis{imino[(2S)-1-oxo-3,3-diphenyl-1,2-propanediyl]})bis{1-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)propanoyl]amino}acetyl]-2-pyrrolidinecarboxamide} (CAS: 1001600-56-1)?

Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be immediately cleaned up using appropriate absorbents, and the area should be flushed with water. Safety data sheets (SDS) should always be consulted for detailed handling and disposal instructions.