CAS 112362-50-2|Dalfopristin|Dalfopristinum [inn-latin]|Dalfopristine [inn-french]|(6R,10R,11R,12Z,17Z,19Z,21S)-6-[2-(diethylamino)ethanesulfonyl]-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3...

基本信息

化学结构

分子式

C₃₄H₅₀N₄O₉S

分子量

690.8472

精确质量

690.3298502

电荷

InChI

InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9-,12-11-,23-18-/t24-,25-,28-,31?,32-/m1/s1

InChIKey

SUYRLXYYZQTJHF-FUODUHIRSA-N

Canonic Smiles

CCN(CCS(=O)(=O)[C@@H]1CCN2C1C(=O)O[C@H](C(C)C)[C@H](C)/C=C\C(=O)NC/C=C\C(=C/[C@H](CC(=O)Cc1nc(C2=O)co1)O)\C)CC

Isomeric Smiles

S(=O)(=O)([C@H]1C2N(CC1)C(=O)c1nc(oc1)CC(=O)C[C@H](O)/C=C(\C=C/CNC(=O)/C=C\[C@H]([C@H](OC2=O)C(C)C)C)/C)CCN(CC)CC

计算属性

JChem

Acid pKa

11.378627

质子受体

质子供体

LogD (pH = 5.5)

-0.012025763

LogD (pH = 7.4)

1.4094774

Log P

1.581891

摩尔折射率

182.8398

极化性

70.6918

极化表面积

176.42

可自由旋转的化学键

里宾斯基五规则

false

ALOGPS 2.1

Log P

2.57

LOG S

-3.98

溶解度

7.16e-02 g/l

数据来源

学术数据

数据来源

名称和标识

IUPAC传统名

(6R,10R,11R,12Z,17Z,19Z,21S)-6-[2-(diethylamino)ethanesulfonyl]-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone

别名

Dalfopristina [inn-spanish]Dalfopristinum [inn-latin]DalfopristinDalfopristine [inn-french]

IUPAC标准名

(6R,10R,11R,12Z,17Z,19Z,21S)-6-[2-(diethylamino)ethanesulfonyl]-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone

名称和标识

数据登录号

PubChem CID

21943991

PubChem SID

46506561160964994

CAS号

112362-50-2

数据登录号

化合物性质

暂无数据

点击上传数据

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

DrugBank

DB01764

Drug Groups

approved

Description

Dalfopristin is a combination of two antibiotics (Dalfopristin and quinupristin) used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium. It is not effective against Enterococcus faecalis infections. Dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome and quinupristin inhibits the late phase of protein synthesis.

Indication

For the treatment of bacterial infections (usually in combination with quinupristin).

Pharmacology

Dalfopristin is a streptogramin antibiotic, derived from pristinamycin IIA.

Affected Organisms

Enteric bacteria and other eubacteria

Biotransformation

Converted to an active non-conjugated metabolite by hydrolysis.

Half Life

The elimination half-life is approximately 0.70 hours.

Protein Binding

Moderate

References

• Allington DR, Rivey MP: Quinupristin/dalfopristin: a therapeutic review. Clin Ther. 2001 Jan;23(1):24-44. [Pubmed]

• Lamb HM, Figgitt DP, Faulds D: Quinupristin/dalfopristin: a review of its use in the management of serious gram-positive infections. Drugs. 1999 Dec;58(6):1061-97. [Pubmed]

• Manzella JP: Quinupristin-dalfopristin: a new antibiotic for severe gram-positive infections. Am Fam Physician. 2001 Dec 1;64(11):1863-6. [Pubmed]

• Paradisi F, Corti G, Messeri D: Antistaphylococcal (MSSA, MRSA, MSSE, MRSE) antibiotics. Med Clin North Am. 2001 Jan;85(1):1-17. [Pubmed]

External Links

• [Wikipedia]

描述信息

参考文献

PubChem文献

数据源提供

• Lamb HM, Figgitt DP, Faulds D: Quinupristin/dalfopristin: a review of its use in the management of serious gram-positive infections. Drugs. 1999 Dec;58(6):1061-97. Pubmed

• Paradisi F, Corti G, Messeri D: Antistaphylococcal (MSSA, MRSA, MSSE, MRSE) antibiotics. Med Clin North Am. 2001 Jan;85(1):1-17. Pubmed

• Allington DR, Rivey MP: Quinupristin/dalfopristin: a therapeutic review. Clin Ther. 2001 Jan;23(1):24-44. Pubmed

• Manzella JP: Quinupristin-dalfopristin: a new antibiotic for severe gram-positive infections. Am Fam Physician. 2001 Dec 1;64(11):1863-6. Pubmed

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

计算属性

• RDKit

• JChem