Stafib-1 | CAS#1688703-26-5 | STAT5b SH2 inhibitor

MedKoo Cat#: 562264 | Name: Stafib-1

Description:

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

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

Stafib-1

CAS#1688703-26-5

Theoretical Analysis

MedKoo Cat#: 562264

Name: Stafib-1

CAS#: 1688703-26-5

Chemical Formula: C26H24N2O11P2

Exact Mass: 602.0855

Molecular Weight: 602.42

Elemental Analysis: C, 51.84; H, 4.02; N, 4.65; O, 29.21; P, 10.28

Price and Availability

Size	Price	Availability
50mg	USD 750.00	2 Weeks
100mg	USD 1,250.00	2 Weeks
200mg	USD 1,950.00	2 Weeks
1g	USD 4,350.00	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

	Solvent	mg/mL	mM
Solubility
	DMSO	100.0	166.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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:

In vivo protocol:

To be determined

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.