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MedKoo Cat#: 561717 | Name: IST5-002

Description:

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

IST5-002 is a potent inhibitor of Stat5a/b with therapeutic potential for prostate cancer and chronic myeloid leukemia.

Chemical Structure

IST5-002
IST5-002
CAS#13484-66-7 (free acid)

Theoretical Analysis

MedKoo Cat#: 561717

Name: IST5-002

CAS#: 13484-66-7 (free acid)

Chemical Formula: C17H20N5O7P

Exact Mass: 437.1100

Molecular Weight: 437.34

Elemental Analysis: C, 46.69; H, 4.61; N, 16.01; O, 25.61; P, 7.08

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 #
57828-96-3 174063-89-9 (sodium) 13484-66-7 (free acid)
Synonym
IST5-002; IST5 002; IST5002; Benzyl-AMP; N6-Benzyladenosine-5'-phosphate; NSC 255523; NSC-255523; NSC255523;
IUPAC/Chemical Name
[(2R,3S,4R,5R)-5-[6-(Benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChi Key
DWVANBHPEPSMOV-LSCFUAHRSA-N
InChi Code
InChI=1S/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1
SMILES Code
O=P(O)(OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CC=C4)N=CN=C23)[C@H](O)[C@@H]1O)O
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 437.34 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: Liao Z, Gu L, Vergalli J, Mariani SA, De Dominici M, Lokareddy RK, Dagvadorj A, Purushottamachar P, McCue PA, Trabulsi E, Lallas CD, Gupta S, Ellsworth E, Blackmon S, Ertel A, Fortina P, Leiby B, Xia G, Rui H, Hoang DT, Gomella LG, Cingolani G, Njar V, Pattabiraman N, Calabretta B, Nevalainen MT. Structure-Based Screen Identifies a Potent Small Molecule Inhibitor of Stat5a/b with Therapeutic Potential for Prostate Cancer and Chronic Myeloid Leukemia. Mol Cancer Ther. 2015 Aug;14(8):1777-93. doi: 10.1158/1535-7163.MCT-14-0883. Epub 2015 May 29. PubMed PMID: 26026053; PubMed Central PMCID: PMC4547362.