WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H206615
CAS#: 1398833-56-1
Description: 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.
Hodoodo Cat#: H206615
Name: NT113
CAS#: 1398833-56-1
Chemical Formula: C27H25ClFN5O2
Exact Mass: 505.17
Molecular Weight: 505.978
Elemental Analysis: C, 64.09; H, 4.98; Cl, 7.01; F, 3.75; N, 13.84; O, 6.32
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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: | |
In vitro protocol: | |
In vivo protocol: |
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.