Cancidas - Moligand™, ≥98% , 1,3-beta-glucan synthase inhibitor, CAS No.179463-17-3, 1,3-beta-glucan synthase inhibitor

CAS: 179463-17-3 Cat. No.: C305219 Formule: C₅₆H₉₆N₁₀O₁₉ Poids moléculaire: 1213.42 Numéro CE: 605-859-0 PubChem CID: 6850808

GRADE & PURITY Moligand™, ≥98%

Synonyms

D02501 | MK-0991 | MK-0991 (Acetate);L-743872 (Acetate) | L 743872 | OGUJBRYAAJYXQP-LLXMLGLCSA-N | MK 0991 | Caspofungin acetate | caspofungin diacetate | Cancidas | Cancidas (TN) | Caspofungin acetate- Bio-X | Caspofungin acetate (JAN/USAN) | AC-27763 |

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Caspofungin Acetate (MK 0991) is the acetate salt of an antimycotic echinocandin lipopeptide, semisynthetically derived from a fermentation product of the fungus Glarea lozoyensis. This agent is active against Aspergillus and Candida species.

Specifications

Synonymes

D02501 | MK-0991 | MK-0991 (Acetate);L-743872 (Acetate) | L 743872 | OGUJBRYAAJYXQP-LLXMLGLCSA-N | MK 0991 | Caspofungin acetate | caspofungin diacetate | Cancidas | Cancidas (TN) | Caspofungin acetate- Bio-X | Caspofungin acetate (JAN/USAN) | AC-27763 |

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Potent antifungal agent (MIC values are 13 and 25 nM for C. Albicans and C. Krusei resepectively). 1,3-beta-D-glucan synthase inhibitor. Inhibits β (1,3)-D-glucan biosynthesis. Shows antifungal effects in vivo. Orally active.

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

1,3-beta-glucan synthase inhibitor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528775991
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528775991
• Sourires canoniques: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O
• IUPAC Name: acetic acid;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
• InChIKey: OGUJBRYAAJYXQP-LLXMLGLCSA-N
• INCHI: 1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;2*1-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);2*1H3,(H,3,4)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+;;/m1../s1
• Isomères SMILES: CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O
• WGK Allemagne: 3
• RTECS: TP8046500
• PubChem CID: 6850808
• Poids moléculaire: 1213.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Cyclic peptides Macrolactams N-acyl-alpha amino acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives N-acyl amines Tertiary carboxylic acid amides Pyrrolidines 1,3-aminoalcohols Secondary carboxylic acid amides Secondary alcohols Lactams Dialkylamines Carboxylic acids Polyols Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Aromatic alcohols Organic oxides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Tertiary carboxylic acid amide - Pyrrolidine - 1,3-aminoalcohol - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Azacycle - Polyol - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Primary amine - Organopnictogen compound - Alcohol - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Aromatic alcohol - Amine - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: antibiotic antifungal drug - acetate salt

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

Propriétés chimiques et physiques

• Sensibilité: Moisture and light sensitive
• Poids moléculaire: 1213.400 g/mol
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 23
• Exact Mass: 1212.69 Da
• Monoisotopic Mass: 1212.69 Da
• Topological Polar Surface Area: 487.000 Ų
• Heavy Atom Count: 85
• Formal Charge: 0
• Complexity: 1930.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Références

1. Longfei Yang, Xiaonan Wang, Zhiming Ma, Yujie Sui, Xin Liu.  (2024)  Fangchinoline inhibits growth and biofilm of Candida albicans by inducing ROS overproduction.  JOURNAL OF CELLULAR AND MOLECULAR MEDICINE,  28  (9): (e18354).  [PMID:38686557] [10.1111/jcmm.18354]