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AB231507

Daclatasvir (BMS-790052), HCV NS5A protein inhibitor

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MW 738.9 Da, Purity 97%. Daclatasvir a potent, direct acting, small molecule inhbitor of HCV NS5A protein. It inhbibits replicons expressing a wide range of HCV genotypes with EC50 values in the pM range (9 and 71 pM against the 1b and 2a genotypes, respectively). It also inhibits infection by the JFH-1 genotype 2a virus in cultured cells. Daclatasvir is thought to inhibit relication of the HCV viral genome by affecting the subcellular localization of HCV NS5A and preventing its incorporation into relication complexes. In HCV-infected Huh7 cells, Daclatasvir (1 nM) inhibits viral RNA synthesis and viron assembly. Daclatasvir displays moderate activity against the OAT1B1 (IC50 = 1.5 μM) and OAT1B3 (IC50 = 3.27 μM) organic anion transporters.

대체 명칭 보기

1,8-cineole 2-exo-monooxygenase, Albendazole monooxygenase, Albendazole sulfoxidase, CP33, CP34, CP3A4_HUMAN, CYP3, CYP3A, CYP3A3, CYP3A4, CYPIIIA3, CYPIIIA4, Cytochrome P450 3A3, Cytochrome P450 3A4, Cytochrome P450 HLp, Cytochrome P450 NF-25, Cytochrome P450 family 3 subfamily A polypeptide 4, Cytochrome P450 subfamily IIIA polypeptide 4, Cytochrome P450-PCN1, Eag-related protein 1, Ether a go go related potassium channel protein, Ether-a-go-go-related gene potassium channel 1, Ether-a-go-go-related protein 1, Glucocorticoid inducible P450, H-ERG, HLP, KCNH2_HUMAN, Kv11.1, LQT 2, MGC126680, NF 25, Nifedipine oxidase, P450 III steroid inducible, P450 PCN1, P450, family III, P450C3, Potassium channel HERG, Potassium voltage gated channel subfamily H (eag related) member 2, Potassium voltage-gated channel subfamily H member 2, Quinine 3-monooxygenase, SQT1, Taurochenodeoxycholate 6-alpha-hydroxylase, Voltage gated potassium channel, subfamily H, member 2, Voltage-gated potassium channel subunit Kv11.1, cytochrome P450, subfamily IIIA (niphedipine oxidase), polypeptide 3, cytochrome P450, subfamily IIIA (niphedipine oxidase), polypeptide 4, eag homolog, hERG-1

1 이미지
Chemical Structure - Daclatasvir (BMS-790052), HCV NS5A protein inhibitor (AB231507)
  • Chemical Structure

Lab

Chemical Structure - Daclatasvir (BMS-790052), HCV NS5A protein inhibitor (AB231507)

2D chemical structure image of ab231507, Daclatasvir (BMS-790052), HCV NS5A protein inhibitor

주요 정보

CAS 번호

1009119-64-5

Purity

97%

제형

Solid

form

Molecular weight

738.9 Da

Molecular formula

C<sub>4</sub><sub>0</sub>H<sub>5</sub><sub>0</sub>N<sub>8</sub>O<sub>6</sub>

PubChem

25154714

Nature

Synthetic

Solubility

DMSO = 200.3 mM.

Ethanol = 200.3 mM

생화학적 명칭

Daclatasvir

생물학적 정보

Daclatasvir a potent, direct acting, small molecule inhbitor of HCV NS5A protein. It inhbibits replicons expressing a wide range of HCV genotypes with EC50 values in the pM range (9 and 71 pM against the 1b and 2a genotypes, respectively). It also inhibits infection by the JFH-1 genotype 2a virus in cultured cells. Daclatasvir is thought to inhibit relication of the HCV viral genome by affecting the subcellular localization of HCV NS5A and preventing its incorporation into relication complexes. In HCV-infected Huh7 cells, Daclatasvir (1 nM) inhibits viral RNA synthesis and viron assembly. Daclatasvir displays moderate activity against the OAT1B1 (IC50 = 1.5 μM) and OAT1B3 (IC50 = 3.27 μM) organic anion transporters.

Canonical SMILES

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

Isomeric SMILES

CC(C)[C@@H](C(=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)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

InChi

InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1

InChiKey

FKRSSPOQAMALKA-CUPIEXAXSA-N

IUPAC Name

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

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보완 제품

Biochemicals

AB120503

BAPTA-AM, Ca2+ chelator

Immunocytochemistry/ Immunofluorescence - BAPTA-AM, Ca2+ chelator (AB120503)

  • 0
  • 0
Secondary Antibodies

AB150077

Goat Anti-Rabbit IgG H&L (Alexa Fluor® 488)

Immunocytochemistry/ Immunofluorescence - Goat Anti-Rabbit IgG H&L (Alexa Fluor® 488) (AB150077)

  • 5
  • 20
Biochemicals

AB120914

Xestospongin C, IP3 receptor antagonist

Chemical Structure - Xestospongin C, IP3 receptor antagonist (AB120914)

  • 0
  • 0
Primary Antibodies

AB192890

Anti-LC3B antibody [EPR18709] - Autophagosome Marker

BOND RX™ Validated|RabMAb|Recombinant|KO Validated|Lab Essentials|20ul selling size

Western blot - Anti-LC3B antibody [EPR18709] - Autophagosome Marker (AB192890)

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특성 및 보관 정보

배송 시 보관 조건
Blue Ice
적절한 단기 보관 조건
-20°C
적절한 장기 보관 조건
-20°C
취급 방법

Need more advice on solubility, usage and handling? Please visit our our product support page for more details.

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Refer to SDS for further information.

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추가 정보

This supplementary information is collated from multiple sources and compiled automatically.

Cytochrome P450 3A4 also known as CYP3A4 is an important enzyme in the cytochrome P450 family. This enzyme has a molecular mass of approximately 57 kDa. It is extensively expressed in the liver and intestines where it plays an important role in the metabolism of various substances. CYP3A4 is important for oxidizing small foreign organic molecules such as toxins or drugs so that they can be removed from the body. It also shows structural relationships with other proteins such as daclatasvir through its complex interactions.
Biological function summary

CYP3A4 metabolizes drugs by interacting with and transforming a broad range of chemical substrates. It functions as part of a multi-enzyme complex in the endoplasmic reticulum. Other proteins such as NADPH-cytochrome P450 reductase help transfer electrons to CYP3A4 making it active. This process includes the metabolism of drugs used in medicine substances like steroids and various pollutants. The ability of CYP3A4 to interact with various pharmaceutical products highlights its importance in drug development and therapy optimization.

Pathways

CYP3A4 plays a significant role in the drug metabolism and synthesis of cholesterol steroids and other lipids. The enzyme is part of the hepatic drug metabolism pathway where it closely interacts with proteins such as CYP3A5 and CYP3A7. Another important pathway is the cortisol synthesis pathway where CYP3A4 aids in the conversion of intermediates into active steroid products. The relevance of CYP3A4 in these pathways also impacts its interaction with compounds like daclatasvir structure influencing pharmacokinetic behavior.

CYP3A4 influences drug-drug interactions and contributes to the variable responses to pharmacotherapy. It is notably implicated in liver disorders due to its high expression in the liver. The enzyme also plays a role in drug resistance seen in cancer treatment as cancer cells may alter CYP3A4 expression to survive drug therapy. Connections to proteins like hCV NS5A suggest its involvement in hepatitis C drug metabolism and resistance patterns providing a target for therapeutic interventions.
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제품 프로토콜

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Product promise

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