Stafib-1
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MedKoo CAT#: 562264

CAS#: 1688703-26-5

Description: Stafib-1 is the first small molecule inhibitor of the STAT5b SH2 domain (Ki =44 nM) with more than 50-fold selectivity over STAT5a.

Chemical Structure

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Stafib-1
CAS# 1688703-26-5
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 562264
Name: Stafib-1
CAS#: 1688703-26-5
Chemical Formula: C26H24N2O11P2
Exact Mass: 602.09
Molecular Weight: 602.420
Elemental Analysis: C, 51.84; H, 4.02; N, 4.65; O, 29.21; P, 10.28

Price and Availability

Size Price Availability Quantity
5mg USD 350 2 Weeks
10mg USD 500 2 Weeks
25mg USD 950 2 Weeks
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Synonym: Stafib-1; Stafib 1; Stafib1;

IUPAC/Chemical Name: 4-((2-((6-(Phenylcarbamoyl) naphthalen-2-yl)oxy) acetamido)methyl)-1,2-phenylene bis(dihydrogen phosphate)

InChi Key: SMUYYYBDKASIKY-UHFFFAOYSA-N

InChi Code: InChI=1S/C26H24N2O11P2/c29-25(27-15-17-6-11-23(38-40(31,32)33)24(12-17)39-41(34,35)36)16-37-22-10-9-18-13-20(8-7-19(18)14-22)26(30)28-21-4-2-1-3-5-21/h1-14H,15-16H2,(H,27,29)(H,28,30)(H2,31,32,33)(H2,34,35,36)

SMILES Code: O=C(NCC1=CC=C(OP(O)(O)=O)C(OP(O)(O)=O)=C1)COC2=CC=C3C=C(C(NC4=CC=CC=C4)=O)C=CC3=C2

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:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: Stafib-1 is the first selective inhibitor of the STAT5b SH2 domain, with a Ki of 44 nM and an IC50 of 154 nM.
In vitro activity: Stafib-1 provides the first demonstration that naturally occurring SH2 domains with more than 90% sequence identity can be selectively targeted with small organic molecules. Stafib-1 inhibited the STAT5b SH2 domain (K(i)=44 nM) with more than 50-fold selectivity over STAT5a. A prodrug of Stafib-1 was shown to inhibit STAT5b with high selectivity over STAT5a in tumor cells. Reference: Angew Chem Int Ed Engl. 2015 Apr 13;54(16):4758-63. https://pubmed.ncbi.nlm.nih.gov/25702814/
In vivo activity: To be determined

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 166.00

Preparing Stock Solutions

The following data is based on the product molecular weight 602.42 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
Formulation protocol: 1. Elumalai N, Berg A, Rubner S, Blechschmidt L, Song C, Natarajan K, Matysik J, Berg T. Rational development of Stafib-2: a selective, nanomolar inhibitor of the transcription factor STAT5b. Sci Rep. 2017 Apr 11;7(1):819. doi: 10.1038/s41598-017-00920-3. PMID: 28400581; PMCID: PMC5429769. 2. Elumalai N, Berg A, Natarajan K, Scharow A, Berg T. Nanomolar inhibitors of the transcription factor STAT5b with high selectivity over STAT5a. Angew Chem Int Ed Engl. 2015 Apr 13;54(16):4758-63. doi: 10.1002/anie.201410672. Epub 2015 Feb 20. PMID: 25702814; PMCID: PMC4471549.
In vitro protocol: 1. Elumalai N, Berg A, Rubner S, Blechschmidt L, Song C, Natarajan K, Matysik J, Berg T. Rational development of Stafib-2: a selective, nanomolar inhibitor of the transcription factor STAT5b. Sci Rep. 2017 Apr 11;7(1):819. doi: 10.1038/s41598-017-00920-3. PMID: 28400581; PMCID: PMC5429769. 2. Elumalai N, Berg A, Natarajan K, Scharow A, Berg T. Nanomolar inhibitors of the transcription factor STAT5b with high selectivity over STAT5a. Angew Chem Int Ed Engl. 2015 Apr 13;54(16):4758-63. doi: 10.1002/anie.201410672. Epub 2015 Feb 20. PMID: 25702814; PMCID: PMC4471549.
In vivo protocol: To be determined

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1: Elumalai N, Natarajan K, Berg T. Halogen-substituted catechol bisphosphates are potent and selective inhibitors of the transcription factor STAT5b. Bioorg Med Chem. 2017 Jul 15;25(14):3871-3882. doi: 10.1016/j.bmc.2017.05.039. Epub 2017 May 18. PubMed PMID: 28559059.

2: Elumalai N, Berg A, Rubner S, Blechschmidt L, Song C, Natarajan K, Matysik J, Berg T. Rational development of Stafib-2: a selective, nanomolar inhibitor of the transcription factor STAT5b. Sci Rep. 2017 Apr 11;7(1):819. doi: 10.1038/s41598-017-00920-3. PubMed PMID: 28400581; PubMed Central PMCID: PMC5429769.

3: Elumalai N, Berg A, Natarajan K, Scharow A, Berg T. Nanomolar inhibitors of the transcription factor STAT5b with high selectivity over STAT5a. Angew Chem Int Ed Engl. 2015 Apr 13;54(16):4758-63. doi: 10.1002/anie.201410672. Epub 2015 Feb 20. PubMed PMID: 25702814; PubMed Central PMCID: PMC4471549.