MedKoo Cat#: 555638 | Name: CMLD013075

Description:

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

CMLD013075 is a HSP90 inhibitor. CMLD013075 has >25-fold binding selectivity for the C. albicans Hsp90 NBD compared to the human ortholog, limits fungal proliferation in whole cell assays, and is less toxic to human cells compared to the nonselective compound radicicol.

Chemical Structure

CMLD013075
CMLD013075
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 555638

Name: CMLD013075

CAS#: Unknown

Chemical Formula: C27H29NO6

Exact Mass: 463.1995

Molecular Weight: 463.53

Elemental Analysis: C, 69.96; H, 6.31; N, 3.02; O, 20.71

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
CMLD013075; CMLD-013075; CMLD 013075;
IUPAC/Chemical Name
(1aR,2Z,4E,14R,15aR)-9,11-dihydroxy-6-((4-methoxyphenethyl)imino)-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-benzo[c]oxireno[2,3-k][1]oxacyclotetradecin-12-one
InChi Key
JHWNGXOWPODSRD-RWJFXJSRSA-N
InChi Code
InChI=1S/C27H29NO6/c1-17-13-25-24(34-25)6-4-3-5-20(28-12-11-18-7-9-22(32-2)10-8-18)14-19-15-21(29)16-23(30)26(19)27(31)33-17/h3-10,15-17,24-25,29-30H,11-14H2,1-2H3/b5-3+,6-4-,28-20+/t17-,24-,25-/m1/s1
SMILES Code
O=C(O[C@H](C)C[C@@H](O1)[C@H]1/C=C\C=C\2)C3=C(O)C=C(O)C=C3CC2=N/CCC4=CC=C(OC)C=C4
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 463.53 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
Design and Synthesis of Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors David S. HuangEmmanuelle V. LeBlancTanvi Shekhar-GuturjaNicole RobbinsDamian J. KrysanJuan PizarroLuke Whitesell*Leah E. Cowen*Lauren E. Brown* Journal of Medicinal Chemistry, Articles ASAP (As Soon As Publishable)Subscribed Access Publication Date (Web):September 12, 2019