CAS 1007882-23-6

1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-

Description:

1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis-, 1,1'-bis(1,1-dimethylethyl) ester, (2S,2'S)- is a complex organic compound characterized by its unique structural features, including a pyrrolidine ring and a biphenyl-imidazole moiety. This compound is likely to exhibit properties typical of esters, such as being less polar than the corresponding acids, which may influence its solubility in organic solvents. The presence of bulky tert-butyl groups suggests that it may have steric hindrance, potentially affecting its reactivity and interactions with biological systems. The chirality indicated by the (2S,2'S)- designation implies that the compound may exhibit specific stereochemical behavior, which can be crucial in biological contexts, such as enzyme interactions or receptor binding. Additionally, the presence of multiple functional groups may allow for diverse chemical reactivity, making it a candidate for various applications in medicinal chemistry or materials science. Overall, this compound's intricate structure suggests potential utility in specialized chemical applications.

Formula: C₃₆H₄₄N₆O₄

InChI: InChI=1S/C36H44N6O4/c1-35(2,3)45-33(43)41-19-7-9-29(41)31-37-21-27(39-31)25-15-11-23(12-16-25)24-13-17-26(18-14-24)28-22-38-32(40-28)30-10-8-20-42(30)34(44)46-36(4,5)6/h11-18,21-22,29-30H,7-10,19-20H2,1-6H3,(H,37,39)(H,38,40)/t29-,30-/m0/s1

InChI key: WPMTYMFNINZZHE-KYJUHHDHSA-N

SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)OC(C)(C)C

Synonyms:

• (2S,2'S)-di-tert-butyl 2,2'-(4,4'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-iMidazole-4,2-diyl))bis(pyrrolidine-1-carboxylate)
• Daclatasvir intermediate-4
• (2S,2'S)-2,2'-[(1,1'-biphenyl)-4,4'-diyldi-1H-imidazole-5,2-diyl]bis-1-pyrrolidinecarboxylic acid 1,1'-bis(1,1-dimethylethyl) ester
• 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-
• 1-Pyrrolidinecarboxylic acid,2,2'-​ ([1,1'-biphenyl]-4,4'-diyldi-1H-​ imidazole-5,2-diyl)bis-,1,1'-bis(1,1-​ dimethylethyl)ester,(2S,2'S)-
• 1-Pyrrolidinecarboxylic acid,2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis-
• Daclatasvir Intermediates 4
• di-tert-butyl2,2'-([1,1'-biphenyl]-4,4'-diylbis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)
• 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-nyl
• (2S,2''S)-Di-tert-butyl 2,2''-(5,5''-([1,1''-biphenyl]-4,4''-diyl)bis(1h-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate)
• (2S,2'S)-
• EOS-61352
• HCV-IN-30
• Bis(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate)
• Daclatasvir Intermediates Ⅱ
• Dacaltasvir Intermediate 02
• Methyl-N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• Daclatasvir Intermediate-2
• Daclatasvir intermediate 02
• Di-tert-butyl2,2'-([1,1'-biphenyl]-4,4'-diylbis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyridineidine-1-carboxylate)
• di-tert-butyl (2S,2'S)-2,2'-(4,4'-biphenyldiylbis(1H-imidazole-5,2-diyl))di(1-pyrrolidinecarboxylate)
• Daclatasvir Intermediates
• 2-(5-(4'-(2-((S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-1H-imidazol-4-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
• Di-tert-butyl2,2'-([1,1'-biphenyl]-4,4'-diylbis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyridineidine-1-

HCV-IN-30

CAS: 1007882-23-6

HCV-IN-30

Formula: C₃₆H₄₄N₆O₄

Purity: 99.5%

Molecular weight: 624.77

Ref: 54-BUP14081

Bis(2-Methyl-2-Propanyl) (2S,2'S)-2,2'-[4,4'-Biphenyldiylbis(1H-Imidazole-4,2-Diyl)]Di(1-Pyrrolidinecarboxylate)

CAS: 1007882-23-6

Bis(2-Methyl-2-Propanyl) (2S,2'S)-2,2'-[4,4'-Biphenyldiylbis(1H-Imidazole-4,2-Diyl)]Di(1-Pyrrolidinecarboxylate)

Formula: C₃₆H₄₄N₆O₄

Purity: 95%

Molecular weight: 624.77

Ref: 54-OR1028309

Daclatasvir Impurity 42

CAS: 1007882-23-6

Formula: C₃₆H₄₄N₆O₄

Molecular weight: 624.79

Ref: 4Z-D-145041

Bis(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate)

CAS: 1007882-23-6

BIs(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate)

Formula: C₃₆H₄₄N₆O₄

Purity: 95%

Molecular weight: 624.77

Ref: IN-DG399001

(2S,2'S)-2,2'-([1,1'-Biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic Acid 1,1'-Bis(1,1-dimethylethyl) Ester

Controlled Product

CAS: 1007882-23-6

Applications (2S,2'S)-2,2'-([1,1'-Biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic Acid 1,1'-Bis(1,1-dimethylethyl) Ester is an antiviral agent and Daclatasvir (D101500) intermediate. Daclatasvir inhibits the HCV protein NS5A and thus can be used as a drug candidate for the treatment of hepatitis C (HCV).
References Gao, M., et al.: Nature, 465(7294), 96 (2010); Bell, T. W., Chem. Med. Chem., 5(10), 1663 (2010);

Formula: C₃₆H₄₄N₆O₄

Color and Shape: Neat

Molecular weight: 624.772

Ref: TR-B398155

HCV-IN-30

CAS: 1007882-23-6

HCV-IN-30 is an HCV NS5A replication complex inhibitor (IC50s: 901 and 102 nM for genotypes 1a and 1b replicons).

Formula: C₃₆H₄₄N₆O₄

Purity: 99.6%

Color and Shape: White Solid

Molecular weight: 624.7724

Ref: TM-T11541

Daclatasvir Impurity 4

CAS: 1007882-23-6

Formula: C₃₆H₄₄N₆O₄

Molecular weight: 624.8

Ref: ST-EA-CP-D71020

1,1'-Bis(1,1-dimethylethyl) (2S,2'S)-2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis[1-pyrrolidinecarboxylate]

CAS: 1007882-23-6

Formula: C₃₆H₄₄N₆O₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 624.7724

Ref: IN-DA0002VK