Aminocandin

Aminocandin is an echinocandin antifungal. It works by targeting the glucan in fungal cell walls.[1][2]

Aminocandin

Clinical data
Other names	IP-960, HMR-3270
ATC code	none
Identifiers
IUPAC name 1-[4-[(2-aminoethyl)amino]-N2-[(4'-octyloxy)[1,1'-biohenyl]-4-yl]carbonyl]-L-ornithine]-4-[4-(4-hydroxyphenyl)-L-threonine]-5-L-serine-echinocandin B
CAS Number	227472-48-2
PubChem CID	16072305
ChemSpider	17231781
ChEBI	CHEBI:84073
Chemical and physical data
Formula	C56H79N9O13
Molar mass	1086.298 g·mol^−1
3D model (JSmol)	Interactive image
SMILES CCCCCCCCOc1ccc(cc1)c2ccc(cc2)C(=O)NC3CC(CNC(=O)[C@@H]4[C@H]([C@H](CN4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]5C[C@H](CN5C(=O)[C@@H](NC3=O)[C@@H](C)O)O)[C@@H](Cc6ccccc6)O)CO)C)O)NCCN
InChI InChI=1S/C56H79N9O13/c1-4-5-6-7-8-12-25-78-41-21-19-37(20-22-41)36-15-17-38(18-16-36)50(71)60-42-27-39(58-24-23-57)29-59-54(75)48-49(70)33(2)30-65(48)55(76)43(32-66)61-53(74)47(45(69)26-35-13-10-9-11-14-35)63-52(73)44-28-40(68)31-64(44)56(77)46(34(3)67)62-51(42)72/h9-11,13-22,33-34,39-40,42-49,58,66-70H,4-8,12,23-32,57H2,1-3H3,(H,59,75)(H,60,71)(H,61,74)(H,62,72)(H,63,73)/t33-,34+,39?,40+,42?,43+,44-,45+,46-,47-,48-,49-/m0/s1 Key:JYBUOENGZWTZGU-JZCGONIASA-N
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References

1. Andes D, Marchillo K, Lowther J, Bryskier A, Stamstad T, Conklin R (April 2003). "In vivo pharmacodynamics of HMR 3270, a glucan synthase inhibitor, in a murine candidiasis model". Antimicrobial Agents and Chemotherapy. 47 (4): 1187–92. doi:10.1128/aac.47.4.1187-1192.2003. PMC 152480. PMID 12654645.
2. Brzankalski GE, Najvar LK, Wiederhold NP, Bocanegra R, Fothergill AW, Rinaldi MG, et al. (November 2008). "Evaluation of aminocandin and caspofungin against Candida glabrata including isolates with reduced caspofungin susceptibility". The Journal of Antimicrobial Chemotherapy. 62 (5): 1094–100. doi:10.1093/jac/dkn304. PMC 2721694. PMID 18658194.