MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 526203 | Name: Ro 31-8588

Description:

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

Ro 31-8588 is a hydroxyethylene inhibitor of HIV protease.

Chemical Structure

Ro 31-8588
Ro 31-8588
CAS#141979-04-6

Theoretical Analysis

MedKoo Cat#: 526203

Name: Ro 31-8588

CAS#: 141979-04-6

Chemical Formula: C33H56N4O5

Exact Mass: 588.4251

Molecular Weight: 588.83

Elemental Analysis: C, 67.31; H, 9.59; N, 9.52; O, 13.59

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
Ro 31-8588; Ro 318588; Ro-31-8588.
IUPAC/Chemical Name
Carbamic acid, (1-(cyclohexylmethyl)-2-hydroxy-5-methyl-4-(((2-methyl-1-(((2-(2-pyridinyl)ethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*(1R*,2R*)))-
InChi Key
PGNGZQQIESIRCV-UQPQYDPKSA-N
InChi Code
InChI=1S/C33H56N4O5/c1-8-23(4)29(31(40)35-19-17-25-16-12-13-18-34-25)37-30(39)26(22(2)3)21-28(38)27(20-24-14-10-9-11-15-24)36-32(41)42-33(5,6)7/h12-13,16,18,22-24,26-29,38H,8-11,14-15,17,19-21H2,1-7H3,(H,35,40)(H,36,41)(H,37,39)/t23?,26-,27+,28+,29?/m1/s1
SMILES Code
O=C(OC(C)(C)C)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(NC(C(NCCC2=NC=CC=C2)=O)C(C)CC)=O)C(C)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
>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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 588.83 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: Graves BJ, Hatada MH, Miller JK, Graves MC, Roy S, Cook CM, Kröhn A, Martin JA, Roberts NA. The three-dimensional x-ray crystal structure of HIV-1 protease complexed with a hydroxyethylene inhibitor. Adv Exp Med Biol. 1991;306:455-60. PubMed PMID: 1812742.