Pneumocandin B0 is the starting molecule for the first semisynthetic echinocandin antifungal drug, caspofungin acetate.
Registration of APIs CMC information required for an IND
IND and NDA support Drug master files (DMF) filing
M.F/Formula | C50H80N8O17 |
M.W/Mr. | 1065.2 |
Labeling Target | Beta-(1,3)-glucan synthase |
Application | Pneumocandin B0 is a potent antifungal and inhibitor of Β-(1,3)-D-glucan synthesis. |
Appearance | Solid powder |
Purity | >98% (or refer to the Certificate of Analysis) |
Biological Activity | Pneumocandin B0 is a lipohexapeptide composed of a 10R,12S-dimethylmyristoyl side chain and a hexapeptide core, which is produced by the fungus Glarea lozoyensis. |
Areas of Interest | Immunology & Inflammation Cell Biology Cancer |
Functions | A potent antifungal and inhibitor of ß-(1,3)-D-glucan synthesis |
Long-term Storage Conditions | Soluble in DMSO |
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. |
Short-term Storage Conditions | Dry, dark and at 0 - 4 °C |
Solubility | -20 °C |
InChI | InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1 |
InChI Key | DQXPFAADCTZLNL-ZESADUFFSA-N |
Isomeric SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O |
BoilingPoint | 1442.9±65.0 °C at 760 mmHg |
ShelfLife | >2 years if stored properly |
Melting Point | N/A |
1. Cell-based adhesion assays for isolation of snake venom’s integrin antagonists
2. Adipose tissue is a key organ for the beneficial effects of GLP-2 metabolic function
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