TG-100435 | CAS#867330-68-5 | protein tyrosine kinase inhibitor

MedKoo Cat#: 145633 | Name: TG-100435

Description:

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

TG-100435 is a novel multitargeted, orally active protein tyrosine kinase inhibitor. TG100435 metabolic flux is completely inhibited by methimazole and ketoconazole. TG100435 formation in the human liver microsomes or recombinant P450 increases as a function of cytochrome P450 reductase activity, suggesting potential involvement of cytochrome P450 reductase.

Chemical Structure

TG-100435

CAS#867330-68-5

Theoretical Analysis

MedKoo Cat#: 145633

Name: TG-100435

CAS#: 867330-68-5

Chemical Formula: C26H25Cl2N5O

Exact Mass: 493.1400

Molecular Weight: 494.42

Elemental Analysis: C, 63.16; H, 5.10; Cl, 14.34; N, 14.17; O, 3.24

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

TG-100435; TG100435; TG 100435;

IUPAC/Chemical Name

7-(2,6-dichlorophenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazin-3-amine

InChi Key

OTTCBLPTHPBEEX-UHFFFAOYSA-N

InChi Code

1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)

SMILES Code

CC1=CC(=CC2=NN=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=C12)C5=C(Cl)C=CC=C5Cl

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 494.42 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

1: Kousba A, Soll R, Yee S, Martin M. Cyclic conversion of the novel Src kinase inhibitor [7-(2,6-dichloro-phenyl)-5-methyl- benzo[1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine (TG100435) and Its N-oxide metabolite by flavin-containing monoxygenases and cytochrome P450 reductase. Drug Metab Dispos. 2007 Dec;35(12):2242-51. doi: 10.1124/dmd.107.017384. Epub 2007 Sep 19. PMID: 17881660. 2: Noronha G, Barrett K, Boccia A, Brodhag T, Cao J, Chow CP, Dneprovskaia E, Doukas J, Fine R, Gong X, Gritzen C, Gu H, Hanna E, Hood JD, Hu S, Kang X, Key J, Klebansky B, Kousba A, Li G, Lohse D, Mak CC, McPherson A, Palanki MS, Pathak VP, Renick J, Shi F, Soll R, Splittgerber U, Stoughton S, Tang S, Yee S, Zeng B, Zhao N, Zhu H. Discovery of [7-(2,6-dichlorophenyl)-5-methylbenzo [1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]amine--a potent, orally active Src kinase inhibitor with anti-tumor activity in preclinical assays. Bioorg Med Chem Lett. 2007 Feb 1;17(3):602-8. doi: 10.1016/j.bmcl.2006.11.006. Epub 2006 Nov 7. PMID: 17113292. 3: Hu SX, Soll R, Yee S, Lohse DL, Kousba A, Zeng B, Yu X, McPherson A, Renick J, Cao J, Tabak A, Hood J, Doukas J, Noronha G, Martin M. Metabolism and pharmacokinetics of a novel Src kinase inhibitor TG100435 ([7-(2,6-dichloro- phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-yl- ethoxy)-phenyl]-amine) and its active N-oxide metabolite TG100855 ([7-(2,6-dichloro-phenyl)-5-methylbenzo[1,2,4]triazin-3-yl]-{4-[2-(1-oxy- pyrrolidin-1-yl)-ethoxy]-phenyl}-amine). Drug Metab Dispos. 2007 Jun;35(6):929-36. doi: 10.1124/dmd.106.014290. Epub 2007 Mar 19. PMID: 17371799.