MedKoo Cat#: 127352 | Name: IB-96212
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

IB-96212 is a macrolide that has been found in Micromonospora and has antibacterial and anticancer activities.

Chemical Structure

IB-96212
IB-96212
CAS#220858-11-7

Theoretical Analysis

MedKoo Cat#: 127352

Name: IB-96212

CAS#: 220858-11-7

Chemical Formula: C54H94O16

Exact Mass: 998.6542

Molecular Weight: 999.33

Elemental Analysis: C, 64.90; H, 9.48; O, 25.62

Price and Availability

Size Price Availability Quantity
1mg USD 250.00 2 Weeks
5mg USD 650.00 2 Weeks
10mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
IB-96212; IB96212; IB 96212
IUPAC/Chemical Name
(4E,18Z,20E)-7,9,11,12,13,14,15-heptahydroxy-10-((5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6'-(3-hydroxypentan-2-yl)-22-(2-hydroxypropyl)-5',6,8,16,28,29-hexamethyl-14-propyl-3',4',5',6'-tetrahydro-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-pyran]-4,18,20-trien-3-one
InChi Key
ZJMNECRCNSUGSV-BFNXMDKUSA-N
InChi Code
InChI=1S/C54H94O16/c1-12-26-53(65)51(63)31(5)17-15-14-16-18-38(28-32(6)55)20-22-41-34(8)49(36(10)54(69-41)27-25-30(4)48(70-54)33(7)39(56)13-2)67-42(58)23-19-29(3)44(59)35(9)45(60)50(46(61)47(62)52(53)64)68-43-24-21-40(57)37(11)66-43/h14-16,18-19,23,29-41,43-52,55-57,59-65H,12-13,17,20-22,24-28H2,1-11H3/b15-14-,18-16+,23-19+
SMILES Code
CC1C(O)CCC(OC(C(O)C(C(O)C(CCC)(O)C(O)C(C)C/C=C\C=C\C(CC(C)O)CCC(OC2(OC(C(C)C(O)CC)C(C)CC2)C3C)([H])C(C)C3([H])O4)O)C(C(C(O)C(C)/C=C/C4=O)C)O)O1
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 999.33 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Fernández-Chimeno RI, Cañedo L, Espliego F, Grávalos D, De La Calle F, Fernández-Puentes JL, Romero F. IB-96212, a novel cytotoxic macrolide produced by a marine Micromonospora. I. Taxonomy, fermentation, isolation and biological activities. J Antibiot (Tokyo). 2000 May;53(5):474-8. doi: 10.7164/antibiotics.53.474. PMID: 10908110. 2: Cañedo LM, Fernández-Puentes JL, Baz JP. IB-96212, a novel cytotoxic macrolide produced by a marine Micromonospora. II. Physico-chemical properties and structure determination. J Antibiot (Tokyo). 2000 May;53(5):479-83. doi: 10.7164/antibiotics.53.479. PMID: 10908111.