Rohinitib | CAS#1139253-73-8 | HSF1 Inhibitor

MedKoo Cat#: 564250 | Name: Rohinitib

Description:

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

Rohinitib is a HSF1 inhibitor for target-based cancer therapy.

Chemical Structure

Rohinitib

CAS#1139253-73-8

Theoretical Analysis

MedKoo Cat#: 564250

Name: Rohinitib

CAS#: 1139253-73-8

Chemical Formula: C29H31NO8

Exact Mass: 521.2050

Molecular Weight: 521.57

Elemental Analysis: C, 66.78; H, 5.99; N, 2.69; O, 24.54

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

RHT; Rohinitib

IUPAC/Chemical Name

(1R,2R,3S,3aR,8bS)-1,8b-Dihydroxy-N,6,8-trimethoxy-3a-(4-methoxyphenyl)-N-methyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-carboxamide

InChi Key

TZDAVNWDKGYBCW-IDAMAFBJSA-N

InChi Code

InChI=1S/C29H31NO8/c1-30(37-5)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-2)14-12-18)28(33,26(23)31)25-21(36-4)15-20(35-3)16-22(25)38-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1

SMILES Code

O=C([C@H]([C@H]1C2=CC=CC=C2)[C@@H](O)[C@]3(O)[C@@]1(C4=CC=C(OC)C=C4)OC5=CC(OC)=CC(OC)=C35)N(OC)C

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

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 521.57 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.

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: Agarwal T, Annamalai N, Khursheed A, Maiti TK, Arsad HB, Siddiqui MH. Molecular docking and dynamic simulation evaluation of Rohinitib - Cantharidin based novel HSF1 inhibitors for cancer therapy. J Mol Graph Model. 2015 Sep;61:141-9. doi: 10.1016/j.jmgm.2015.07.003. Epub 2015 Jul 22. PubMed PMID: 26245696.