II-B08

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

MedKoo CAT#: 406796

CAS#: 1143579-78-5

Description: II-B08, also known as PTP Inhibitor XXXI, is a cell-permeable SHP2 inhibitor (IC50 = 5.5 µM). II-B08 blocks growth factor stimulated ERK1/2 activation and hematopoietic progenitor proliferation, providing supporting evidence that chemical inhibition of SHP2 may be therapeutically useful for anticancer and antileukemia treatment. X-ray crystallographic analysis of the structure of SHP2 in complex with 9 reveals molecular determinants that can be exploited for the acquisition of more potent and selective SHP2 inhibitors.


Chemical Structure

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II-B08
CAS# 1143579-78-5

Theoretical Analysis

MedKoo Cat#: 406796
Name: II-B08
CAS#: 1143579-78-5
Chemical Formula: C33H27N5O4
Exact Mass: 557.2063
Molecular Weight: 557.61
Elemental Analysis: C, 71.08; H, 4.88; N, 12.56; O, 11.48

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: II-B08; II-B 08; II-B-08. CD45 Inhibitor V, FAP1 Inhibitor, LMWPTP Inhibitor, Lyp Inhibitor III, PTP1B Inhibitor IX, SHP1 Inhibitor IX.

IUPAC/Chemical Name: 3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid

InChi Key: RATFAFAWIWHLMR-UHFFFAOYSA-N

InChi Code: InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)

SMILES Code: O=C(C1=CC2=C(N(C)C(C3=CC=CC=C3)=C2C4=CN(CCC(NC5=CC=C(C6=CC=CC=C6)C=C5)=O)N=N4)C=C1O)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

Preparing Stock Solutions

The following data is based on the product molecular weight 557.61 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

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1: Sharma N, Everingham S, Zeng LF, Zhang ZY, Kapur R, Craig AW. Oncogenic
KIT-induced aggressive systemic mastocytosis requires SHP2/PTPN11 phosphatase for
disease progression in mice. Oncotarget. 2014 Aug 15;5(15):6130-41. PubMed PMID:
25026279; PubMed Central PMCID: PMC4171618.

2: Duan YQ, Ma Y, Wang XJ, Jin YY, Wang RL, Dong WL, Xu WR, Kong DX, Wang SQ.
Design potential selective inhibitors for treating cancer by targeting the Src
homology 2 (SH2) domain-containing phosphatase 2 (Shp2) with core hopping
approach. Protein Pept Lett. 2014 Jun;21(6):556-63. PubMed PMID: 24364859.

3: Xu J, Zeng LF, Shen W, Turchi JJ, Zhang ZY. Targeting SHP2 for EGFR inhibitor
resistant non-small cell lung carcinoma. Biochem Biophys Res Commun. 2013 Oct
4;439(4):586-90. doi: 10.1016/j.bbrc.2013.09.028. Epub 2013 Sep 13. PubMed PMID:
24041688; PubMed Central PMCID: PMC3822432.

4: Zhang X, He Y, Liu S, Yu Z, Jiang ZX, Yang Z, Dong Y, Nabinger SC, Wu L,
Gunawan AM, Wang L, Chan RJ, Zhang ZY. Salicylic acid based small molecule
inhibitor for the oncogenic Src homology-2 domain containing protein tyrosine
phosphatase-2 (SHP2). J Med Chem. 2010 Mar 25;53(6):2482-93. doi:
10.1021/jm901645u. PubMed PMID: 20170098; PubMed Central PMCID: PMC2842125.