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Caspofungin acetate structure, CAS 179463-17-3

Caspofungin acetate

CAS Number179463-17-3

SynonymsMk0991; L-743,872; CASPOFUNGIN; Cancidas; Caspofungin Diacetate; Caspofungin (Acetate)

Molecular FormulaC56H96N10O19

Molecular Weight1213.42

Purity≥97 (HPLC)%

Density

Boiling Point1408.1ºC at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-1173594 Purity: ≥97 (HPLC)%
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Quality Control of [ 179463-17-3 ] Purity: ≥97 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number179463-17-3
Catalog No.2A-1173594
Chinese Name醋酸卡泊芬净
SynonymsMk0991; L-743,872; CASPOFUNGIN; Cancidas; Caspofungin Diacetate; Caspofungin (Acetate)
Molecular FormulaC56H96N10O19
Molecular Weight1213.42
Purity≥97 (HPLC)
Boiling Point1408.1ºC at 760 mmHg
Appearancepowder
Water SolubilityH2O: soluble15mg/mL (clear solution)
Storage Condition?20°C
ApplicationCaspofungin Acetate is an antifungal drug that non-competitively inhibits the synthesis of 1,3-β-d-glucan synthase.
HTC2933990090
PubChem ID329825420
SMILESCC([O-])=O.CC([O-])=O.CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCC[NH3+])NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c4ccc(O)cc4)[C@H](O)CC[NH3+]
InChI1S/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-;;/m0../s1
InChI KeyOGUJBRYAAJYXQP-IJFZAWIJSA-N
NACRES CodeNA.77
UNSPSC51283107
MSDSmsds/173899_1_179463_17_3.pdf
BioactivityCaspofungin (Acetate) is an antifungal drug, and noncompetitively inhibits 1,3-β-d glucan synthase activity. Related Catalog Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Infection In Vivo Mice injected with caspofungin at vitreal concentrations from 0.41 to 4.1 μM do not have significant alterations in their ERG waveforms, and their retinas have no detectable morphologic changes or loss of cells. At the vitreal concentration of 41 μM, caspofungin reduces the amplitudes of the a-waves, b-waves, and scotopic threshold responses of the ERG and also produces a decrease in the number of cells in the ganglion cell layer[1]. Caspofungin (8 mg/kg) or amphotericin B at 1 mg/kg given i.p. once daily for 7 days beginning at 30 h after infection resulted in 100% survival through day 28 relative to vehicle control treatment, which results in 100% mortality by day 11 after infectious challenge. Caspofungin reduces recovery of viable Candida from kidney and brain tissues compared to vehicle control treatment on day 5, when control burden peaked. Caspofungin-treated mice dosed with 2 mg/kg or greater have significantly lower brain burden than amphotericin-B-treated mice at day 5. Amphotericin B and caspofungin treatment reduce kidney fungal burden by 1.7 log CFU/g and 2.46 to 3.64 log CFU/g, respectively[2]. Animal Admin Antifungal therapy is initiated at 30 h after infectious challenge and is given by intraperitoneal (i.p.) injection once daily for 7 days. Mice are treated with caspofungin at 1, 2, 4, or 8 mg/kg/day, amphotericin B at 1 mg/kg/day, or vehicle control (sterile distilled water). Efficacy in this model is assessed in 3 ways: by monitoring survival in a group of 10 animals in each treatment group, by monitoring Candida burden in kidney and brain tissues in a second set of treated animals, and by histologically evaluating the kidneys and brains in a third set of treated animals. Mice are euthanized by CO2 inhalation, and tissues for both culture and histology are sampled at 30 h (vehicle-treated control only) and at days 5 (24 h after 4th dose), 8 (24 h after last dose), 14, 21 (caspofungin-treated only), and 28 after challenge. References [1]. Mojumder DK, et al. Evaluating retinal toxicity of intravitreal caspofungin in the mouse eye. Invest Ophthalmol Vis Sci. 2010 Nov;51(11):5796-803. [2]. Flattery, Amy M. et al. Efficacy of caspofungin in a juvenile mouse model of central nervous system candidiasis. Antimicrobial Agents and Chemotherapy (2011), 55(7), 3491-3497. Chemical & Physical Properties Boiling Point 1408.1ºC at 760 mmHg Molecular Formula C56H96N10O19 Molecular Weight 1093.31000 Exact Mass 1092.64000 PSA 412.03000 LogP 0.06150 Appearance of Characters white to beige Vapour Pressure 0mmHg at 25°C InChIKey OGUJBRYAAJYXQP-AVOYSFSSSA-N SMILES CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(NCCN)NC(=O)C2C(O)CCN2C(=O)C(C(O)CCN)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O Storage condition ?20°C Water Solubility H2O: soluble15mg/mL (clear solution)
Use ofCaspofungin (Acetate) is an antifungal drug, and noncompetitively inhibits 1,3-β-d glucan synthase activity. Properties Name caspofungin acetate Synonym More Synonyms Cancidas Biological Activity Description Caspofungin (Acetate) is an antifungal drug, and noncompetitively inhibits 1,3-β-d glucan synthase activity. Related Catalog Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Infection References [1]. Mojumder DK, et al. Evaluating retinal toxicity of intravitreal caspofungin in the mouse eye. Invest Ophthalmol Vis Sci. 2010 Nov;51(11):5796-803. [2]. Flattery, Amy M. et al. Efficacy of caspofungin in a juvenile mouse model of central nervous system candidiasis. Antimicrobial Agents and Chemotherapy (2011), 55(7), 3491-3497. Chemical & Physical Properties Molecular Formula C56H96N10O19 Exact Mass 1092.64000 PSA 412.03000 LogP 0.06150 Appearance of Characters white to beige InChIKey OGUJBRYAAJYXQP-AVOYSFSSSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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