Clindamycin Phosphate - ≥96% , CAS No.24729-96-2

CAS: 24729-96-2 Cat. No.: C129914 Fórmula: C₁₈H₃₄ClN₂O₈PS Peso molecular: 504.96 Número CE: 246-433-0

GRADE & PURITY ≥96%

Synonyms

NCGC00166320-01 | BDBM241975 | Clindamycin Phosphate (U-28508E) | CLINDAMYCIN PHOSPHATE COMPONENT OF VELTIN | CLINDAMYCIN PHOSPHATE IN DEXTROSE 5% | SR-01000076168-1 | AKOS008901431 | AS-12554 | CLINDAMYCIN 2-DIHYDROGEN PHOSPHATE [MI] | CLINDAMYCIN PHOSPH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

Clindamycin Phosphate is a lincosamide antibiotic for Plasmodium falciparum with IC50 of 12 nM.

Clindamycin is a lincosamide antibiotic which is considered as a semisynthetic derivative of lincomycin. It is mainly used as an antimicrobial agent.

An antibiotic with anti-inflammatory properties.

Specifications

Sinónimos

NCGC00166320-01 | BDBM241975 | Clindamycin Phosphate (U-28508E) | CLINDAMYCIN PHOSPHATE COMPONENT OF VELTIN | CLINDAMYCIN PHOSPHATE IN DEXTROSE 5% | SR-01000076168-1 | AKOS008901431 | AS-12554 | CLINDAMYCIN 2-DIHYDROGEN PHOSPHATE [MI] | CLINDAMYCIN PHOSPH

Especificações e pureza

≥96%

Mecanismos bioquímicos e fisiológicos

Clindamycin Phosphate (U-28508E) is an antibiotic with anti-inflammatory properties. The compound is a potent antibiotic against anaerobic and gram-positive bacteria. Studies show that Clindamycin associates with the 50S ribosomal subunit, which leads to

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥96%

Propriedades do produto

ALogP

-1.2

Nomes e identificadores

Pubchem Sid

504758802

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758802

Sorrisos canónicos

CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl

IUPAC Name

[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate

InChIKey

UFUVLHLTWXBHGZ-MGZQPHGTSA-N

INCHI

1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1

SMILES isoméricas

CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@H](C)Cl

WGK Alemanha

3

RTECS

GF2625000

Peso molecular

504.96

Reaxy-Rn

42193760

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42193760&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Thioglycosides Pyrrolidinecarboxamides Monoalkyl phosphates Oxanes N-alkylpyrrolidines Monosaccharides Monothioacetals Trialkylamines Secondary carboxylic acid amides Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Alkyl chlorides Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Glycosyl compound - S-glycosyl compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monoalkyl phosphate - Monosaccharide - Organic phosphoric acid derivative - Oxane - Phosphoric acid ester - N-alkylpyrrolidine - Alkyl phosphate - Pyrrolidine - Monothioacetal - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - 1,2-diol - Azacycle - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Alcohol - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Amine - Alkyl chloride - Alkyl halide - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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Homo sapiens (32628 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Bacteroides fragilis (1445 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water, and DMSO
• Rotação específica [α]: 122° (C=1,H2O)
• Ponto de fusão (°C): 114°C
• Peso molecular: 505.000 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 504.146 Da
• Monoisotopic Mass: 504.146 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 658.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1