CAS 1631754-41-0 (acetate): Rezafungin

CAS 1631754-41-0 (acetate): Rezafungin, Stock 370g, Assay 99.7%, White powder, Water 0.27%, Single Impurity 0.3%.

Rezafungin

Rezafungin (formerly CD101) is a new β-glucan synthase inhibitor that is chemically related with anidulafungin. Rezafungin is a novel echinocandin (form of antifungal) with enhanced stability and pharmacokinetics that achieves high plasma drug exposure and allows for once weekly dose administration. Rezafungin has been shown comparable to other echinocandins, with activity against Candida spp. and Aspergillus spp. including subsets of echinocandin-resistant Candida auris and azole-resistant Aspergillus isolates.

Product Details:

Name: Rezafungin acetate

CAS#: 1631754-41-0 (acetate)

Chemical Formula: C65H88N8O19

Exact Mass: 1,225.60

Molecular Weight: 1,285.456

Elemental Analysis: C, 60.73; H, 6.90; N, 8.72; O, 23.65

Specification:

Related CAS #: 1631754-41-0 (acetate)   1396640-59-7 (cation)   1396640-60-0 (TFA)   Rezafungin chloride    

Synonym: Rezafungin; Biafungin; SP-3025; SP 3025; SP3025; CD101; CD-101; CD 101.

IUPAC/Chemical Name: 2-(((2R,9S,11R,12R,14aS,15S,16S,20S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-(4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-carboxamido)tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-12-yl)oxy)-N,N,N-trimethylethan-1-aminium acetate

InChi Key: MXMWJAPNUIKPGF-DPHATNFGSA-N

InChi Code: InChI=1S/C63H84N8O17.C2H4O2/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81;1-2(3)4/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84);1H3,(H,3,4)/t34-,35+,36+,44+,46-,47-,48+,49?,50-,51?,52-,53-,54-,55-,61+;/m0./s1

SMILES Code: CCCCCOC1=CC=C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(N[C@H]4C[C@@H](O)[C@H](NC([C@@H]5[C@@H](O)[C@@H](C)CN5C([C@@H](NC(C(NC([C@@H]6C[C@@H](O)CN6C(C(NC4=O)[C@@H](C)O)=O)=O)[C@H](O)[C@@H](O)C7=CC=C(O)C=C7)=O)[C@@H](C)O)=O)=O)OCC[N+](C)(C)C)=O)C=C1.O=C(C)[O-]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001