Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H33N7O2 |
| Molecular Weight | 504.6381 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[2H]C([2H])=CC(=O)NC1=CC(NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C34)C([2H])([2H])[2H])=C(OC)C=C1N(C)CCN(C)C
InChI
InChIKey=DUYJMQONPNNFPI-ZFTIYMCPSA-N
InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/i1D2,5D3
| Molecular Formula | C28H33N7O2 |
| Molecular Weight | 504.6381 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:06:58 UTC 2023
by
admin
on
Sat Dec 16 19:06:58 UTC 2023
|
| Record UNII |
K294YWL36N
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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162623670
Created by
admin on Sat Dec 16 19:06:59 UTC 2023 , Edited by admin on Sat Dec 16 19:06:59 UTC 2023
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PRIMARY | |||
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K294YWL36N
Created by
admin on Sat Dec 16 19:06:59 UTC 2023 , Edited by admin on Sat Dec 16 19:06:59 UTC 2023
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PRIMARY | |||
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2403760-70-1
Created by
admin on Sat Dec 16 19:06:59 UTC 2023 , Edited by admin on Sat Dec 16 19:06:59 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IRREVERSIBLE INHIBITOR
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METABOLIC ENZYME -> SUBSTRATE |
MAJOR
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METABOLIC ENZYME -> SUBSTRATE |
MINOR
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
Covalently and irreversibly binds to cysteine 797 in the ATP binding site of EGFR, exhibiting 200 times greater potency towards EGFRm/T790M than EGFRWT
IRREVERSIBLE INHIBITOR
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
Deuterium-containing dosimertinib that exhibited robust antitumor activity and lower toxicity against NSCLC compared to osimertinib.
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