Ibrexafungerp, CAS 1207753-03-4

Ibrexafungerp, CAS 1001404-83-6, Stock 300g, Assay 99.74%, White powder, Water 0.24%, Single Impurity 0.26%.

Ibrexafungerp

Ibrexafungerp, also known as MK3118 or SCY078, is a glucan synthase inhibitor potentially for the treatment of candida infection and aspergillosis. Ibrexafungerp is the first representative of a novel class of structurally-distinct glucan synthase inhibitors, triterpenoids. It has shown activity against Aspergillus and Candida, including against multidrug-resistant (MDR) species Candida auris as well as Pneumocystis. It was approved in 2021 to treat vulvovaginal candidiasis in adult females and pediatric females who have begun menstruating.

Product Details:

Name: Ibrexafungerp

CAS#: 1207753-03-4

Chemical Formula: C44H67N5O4

Exact Mass: 729.5193

Molecular Weight: 730.05

Elemental Analysis: C, 72.39; H, 9.25; N, 9.59; O, 8.77

Specification:

Synonym: MK-3118; SCY-078; MK3118; SCY078; MK 3118; SCY 078; ibrexafungerp;

IUPAC/Chemical Name: 4H-1,4a-Propano-2H-phenanthro[1,2-c]pyran-7-carboxylic acid, 15-[(2R)-2-amino-2,3,3-trimethylbutoxy]-8-[(1R)-1,2-dimethylpropyl]- 1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-1,6a,8,10a-tetramethyl-14-[5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]-, (1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-

InChi Key: BODYFEUFKHPRCK-ZCZMVWJSSA-N

InChi Code: InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1

SMILES Code: O=C([C@@H]([C@]1(C)CC=C23)[C@]([C@H](C)C(C)C)(C)CC[C@]1(C)[C@@]2([H])CC[C@]4([H])[C@]53COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](N6N=CN=C6C7=CC=NC=C7)C5)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: >2 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

Certification: