N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid

Basic Information

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CAS Number

871266-63-6

Molecular Formula

C26H24N6O9S

Molecular Weight

596.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Physical State

No data available

Melting Point

No data available

Boiling Point

No data available

Density

1.74±0.1 g/cm3(Predicted)

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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c1cc2c(cc1C(=N)N)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)S(=O)(=O)N)CC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1

InChIKey

WDJHHCAKBRKCLW-IBGZPJMESA-N

LogP

0.8261699999999996

pKa

2.74±0.10(Predicted)

Topological Polar Surface Area

282.87 Å²

Hydrogen Bond Donor/Acceptor

11 / 15

Safety Information

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Hazard Statement

Synonyms & References

English

PCI-27483
(S)-2-[[2-[5-(5-Carbamimidoyl-1H-benzimidazol-2-yl)-6,2'-dihydroxy-5'-sulfamoylbiphenyl-3-yl]acetyl]amino]succinic acid
(S)-2-(2-(5-(5-carbamimidoyl-1H-benzo[d]imidazol-2-yl)-2',6-dihydroxy-5'-sulfamoylbiphenyl-3-yl)acetamido)succinic acid
PCI27483/PCI-27483
L-Aspartic acid, N-[2-[5-[6-(aminoiminomethyl)-1H-benzimidazol-2-yl]-5'-(aminosulfonyl)-2',6-dihydroxy[1,1'-biphenyl]-3-yl]acetyl]
PCI27483
PCI 27483
CS-1599

MDL Number

MFCD25976837

FAQ

What is N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid (CAS: 871266-63-6)?

N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid is a chemical compound with a complex structure consisting of an acetyl group, L-aspartic acid, and a 5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenyl moiety. It is characterized by its stability and unique chemical reactivity in pharmaceutical applications.

What are the main uses of N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid (CAS: 871266-63-6)?

N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid is primarily used in the pharmaceutical industry as an intermediate for the synthesis of drugs and in research for developing new therapeutic agents. It is also used in analytical chemistry for reagent preparation.

Is N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid (CAS: 871266-63-6) safe?

N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid is generally safe when handled with appropriate precautions. It is important to follow safety guidelines, use personal protective equipment, and ensure proper ventilation during handling. Storage and disposal should be done in accordance with regulatory requirements.

How should N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid (CAS: 871266-63-6) be stored?

N-{[5-(6-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture absorption and degradation. It is also advisable to store it in a well-ventilated area to avoid inhaling vapors. Compliance with storage guidelines is essential to maintain the integrity and safety of the compound.