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2D Structure
Also known as: Sunvozertinib [inn], L1q2k5jyo8, 2370013-12-8, Dzd9008, 2-propenamide, n-(5-((4-((5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl)amino)-2-pyrimidinyl)amino)-2-((3r)-3-(dimethylamino)-1-pyrrolidinyl)-4-methoxyphenyl)-, Unii-l1q2k5jyo8
Molecular Formula
C29H35ClFN7O3
Molecular Weight
584.1  g/mol
InChI Key
BTMKEDDEMKKSEF-QGZVFWFLSA-N
FDA UNII
L1Q2K5JYO8

Sunvozertinib is an orally available, irreversible, dual kinase inhibitor of epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor 2 (HER2) that shows similar activity against certain activating mutations, including exon 20 insertions (exon20ins), with potential antineoplastic activity. Upon oral administration,sunvozertinib binds to and inhibits EGFR and HER2, which may result in the inhibition of tumor growth and angiogenesis, and tumor regression in EGFR/HER2-expressing tumors. EGFR and HER2 are receptor tyrosine kinases that play major roles in tumor cell proliferation and tumor vascularization. In contrast to other agents active against exon20ins mutations, sunvozertinib appears to be more selective against mutated EGFR than wild-type (wt) EGFR. This may lessen wtEGFR-related dose-limiting toxicity and may allow for the administration of the desired therapeutic dose of sunvozertinib.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide
2.1.2 InChI
InChI=1S/C29H35ClFN7O3/c1-7-27(39)34-22-14-23(25(41-6)15-24(22)38-11-9-17(16-38)37(4)5)35-28-32-10-8-26(36-28)33-21-13-19(30)20(31)12-18(21)29(2,3)40/h7-8,10,12-15,17,40H,1,9,11,16H2,2-6H3,(H,34,39)(H2,32,33,35,36)/t17-/m1/s1
2.1.3 InChI Key
BTMKEDDEMKKSEF-QGZVFWFLSA-N
2.1.4 Canonical SMILES
CC(C)(C1=CC(=C(C=C1NC2=NC(=NC=C2)NC3=C(C=C(C(=C3)NC(=O)C=C)N4CCC(C4)N(C)C)OC)Cl)F)O
2.1.5 Isomeric SMILES
CC(C)(C1=CC(=C(C=C1NC2=NC(=NC=C2)NC3=C(C=C(C(=C3)NC(=O)C=C)N4CC[C@H](C4)N(C)C)OC)Cl)F)O
2.2 Other Identifiers
2.2.1 UNII
L1Q2K5JYO8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Sunvozertinib [inn]

2. L1q2k5jyo8

3. 2370013-12-8

4. Dzd9008

5. 2-propenamide, N-(5-((4-((5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl)amino)-2-pyrimidinyl)amino)-2-((3r)-3-(dimethylamino)-1-pyrrolidinyl)-4-methoxyphenyl)-

6. Unii-l1q2k5jyo8

7. Schembl21232131

8. Gtpl11672

9. Glxc-25829

10. Ex-a6612

11. Example 52 [wo2019149164a1]

12. Hy-132842

13. Cs-0204146

14. N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide

2.4 Create Date
2019-11-02
3 Chemical and Physical Properties
Molecular Weight 584.1 g/mol
Molecular Formula C29H35ClFN7O3
XLogP35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass583.2473939 g/mol
Monoisotopic Mass583.2473939 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count41
Formal Charge0
Complexity885
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1