Product Name :
EGFR-IN-2
Description:
EGFR-IN-2 is a a noncovalent, irreversible, mutant-selective second generation EGFR inhibitor.
CAS:
1643497-70-4
Molecular Weight:
551.66
Formula:
C26H33N9O3S
Chemical Name:
2-(1-1-[(2S)-butan-2-yl]-6-(2-[1-(cyclopropanesulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-ylazetidin-3-yl)propan-2-ol
Smiles :
C[C@@H](CC)N1N=C(C2=CN=C(C=C12)NC1C=CN=C(N=1)C1=CN(N=C1)S(=O)(=O)C1CC1)N1CC(C1)C(C)(C)O
InChiKey:
RDWYRIOEHIKPRE-INIZCTEOSA-N
InChi :
InChI=1S/C26H33N9O3S/c1-5-16(2)35-21-10-23(28-12-20(21)25(32-35)33-14-18(15-33)26(3,4)36)30-22-8-9-27-24(31-22)17-11-29-34(13-17)39(37,38)19-6-7-19/h8-13,16,18-19,36H,5-7,14-15H2,1-4H3,(H,27,28,30,31)/t16-/m0/s1
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life:
≥12 months if stored properly.
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.
Additional information:
EGFR-IN-2 is a a noncovalent, irreversible, mutant-selective second generation EGFR inhibitor.|Product information|CAS Number: 1643497-70-4|Molecular Weight: 551.66|Formula: C26H33N9O3S|Chemical Name: 2-(1-1-[(2S)-butan-2-yl]-6-(2-[1-(cyclopropanesulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-ylazetidin-3-yl)propan-2-ol|Smiles: C[C@@H](CC)N1N=C(C2=CN=C(C=C12)NC1C=CN=C(N=1)C1=CN(N=C1)S(=O)(=O)C1CC1)N1CC(C1)C(C)(C)O|InChiKey: RDWYRIOEHIKPRE-INIZCTEOSA-N|InChi: InChI=1S/C26H33N9O3S/c1-5-16(2)35-21-10-23(28-12-20(21)25(32-35)33-14-18(15-33)26(3,4)36)30-22-8-9-27-24(31-22)17-11-29-34(13-17)39(37,38)19-6-7-19/h8-13,16,18-19,36H,5-7,14-15H2,1-4H3,(H,27,28,30,31)/t16-/m0/s1|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.DPN Biological Activity |Shelf Life: ≥12 months if stored properly.Biotin Data Sheet |Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.PMID:32255311 |Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vitro:|EGFR-IN-2 (Compound 21) inhibits EGFR autophosphorylation with IC50s of 0.027 μM, 0.009 μM ,0.033 μM , and 0.218 μM in double mutant TMLR cell line H1975, double mutant TMdel cell line PC9-ER, activating mutant del70% when tested at 0.1 μM, 61-fold over the TMLR Ki and 63-fold over the TMdel Ki).|In Vivo:|To examine its inhibitory effect on pEGFR levels in vivo, EGFR-IN-2 (Compound 21) is studied in a mouse H1975 (TMLR) xenograft model. After a single oral dose of 21 at 50 mg/kg, free plasma concentrations of EGFR-IN-2 at or exceeding the in vitro p-EGFR IC50 of 0.027 μM are sustained over 8 h. When administered at 100 mg/kg, the coverage of p-EGFR IC50 is extended to the last measured time point of 16 h postdose. Corresponding knockdown of p-EGFR and the downstream effectors pERK1/2 and AKT levels are observed at those time points, suggesting target engagement in vivo. In mouse, after intravenous and oral administration, the plasma clearance of EGFR-IN-2 is determined to be 104 mL/kg per min with a bioavailability of 19%. In dogs, the plasma clearance is 13 mL/kg per min with an oral bioavailability of 30%.|Products are for research use only. Not for human use.|
