Caspofungin acetate

• Catalog number
  2584-25
• Price
  Please ask
• Size
  25 mg

• Alternative_name
  1-[(4R,5S)-5-[(2-Aminoethyl)amino]-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0; L 743872; MK 0991)
• Description
  Caspofungin acetate is an echinocandin antifungal agent. It displays activity against infections with Aspergillus and Candida, and works by inhibiting β(1,3)-D-Glucan of the fungal cell wall.
• CAS Number
  179463-17-3
• Structure Available
  Y
• Salt Form
  No
• Molecular Formula
  C₅₂H₈₈N₁₀O₁₅· 2C₂HO₂
• Molecular Weight
  1213.42
• Cell Permeable
  No
• Purity
  ≥95%
• Solubilities
  H₂O (~ 15 mg/ml)
• Handling
  Protect from air and moisture
• Tag Line
  An antifungal agent
• Storage Condition
  -20°C
• Shipping Condition
  Gel pack
• Shelf Life
  24 months
• PubChem CID
  123623
• PubChem CID Link
• SMILES
  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
• InChi
  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
• InChi Key
  OGUJBRYAAJYXQP-CPYUAZPCSA-N
• Data Sheet Link
• MSDS Available
  Yes

• Gene target
  Caspofungin   acetate  
• Short name
  Caspofungin acetate
• Alternative name
  Caspofungin acetate

MeSH Data

• Name
  Models, Chemical
• Concept
  Scope note: Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.
• Tree numbers
  • E05.599.495

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