MedKoo Cat#: 206615 | Name: NT113

Description:

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

NT113 is a pan-ERBB inhibitor with high brain penetrance. NT113 inhibits the growth of glioblastoma xenografts with EGFR amplification. NT113 is active against GBM xenografts in which wild-type EGFR or EGFRvIII is highly expressed. NT113 has inhibitory activity, both in vivo and in vitro, on ERBB family member phosphorylation, as well as on the phosphorylation of downstream signaling mediator Akt. NT113 may be potentially useful in treating patients with GBM.

Chemical Structure

NT113
NT113
CAS#1398833-56-1

Theoretical Analysis

MedKoo Cat#: 206615

Name: NT113

CAS#: 1398833-56-1

Chemical Formula: C27H25ClFN5O2

Exact Mass: 505.1681

Molecular Weight: 505.98

Elemental Analysis: C, 64.09; H, 4.98; Cl, 7.01; F, 3.75; N, 13.84; O, 6.32

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 #
No Data
Synonym
NT113; NT-113; NT 113.
IUPAC/Chemical Name
(E)-N-(7-(((1R,5S,6s)-3-oxabicyclo[3.1.0]hexan-6-yl)ethynyl)-4-((3-chloro-4-fluorophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
InChi Key
NQSNDWQDQPMUOC-JTOSHVFGSA-N
InChi Code
InChI=1S/C27H25ClFN5O2/c1-34(2)9-3-4-26(35)33-24-12-19-25(10-16(24)5-7-18-20-13-36-14-21(18)20)30-15-31-27(19)32-17-6-8-23(29)22(28)11-17/h3-4,6,8,10-12,15,18,20-21H,9,13-14H2,1-2H3,(H,33,35)(H,30,31,32)/b4-3+/t18-,20-,21+
SMILES Code
O=C(/C=C/CN(C)C)NC1=C(C#C[C@H]2[C@H]3[C@@H]2COC3)C=C(N=CN=C4NC5=CC(Cl)=C(F)C=C5)C4=C1
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 505.98 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: Yoshida Y, Ozawa T, Yao TW, Shen W, Brown D, Parsa AT, Raizer JJ, Cheng SY, Stegh AH, Mazar AP, Giles FJ, Sarkaria JN, Butowski N, Nicolaides T, James CD. NT113, a pan-ERBB inhibitor with high brain penetrance, inhibits the growth of glioblastoma xenografts with EGFR amplification. Mol Cancer Ther. 2014 Dec;13(12):2919-29. doi: 10.1158/1535-7163.MCT-14-0306. Epub 2014 Oct 13. PubMed PMID: 25313012; PubMed Central PMCID: PMC4364529.