AZD9833

Synopsis, Chemistry

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Also known as: Azd-9833, Unii-jup57a8epz, Azd9833, 2222844-89-3, Camizestrant [usan], Jup57a8epz

Molecular Formula

C₂₄H₂₈F₄N₆

Molecular Weight

476.5 g/mol

InChI Key

WDHOIABIERMLGY-CMJOXMDJSA-N

FDA UNII

JUP57A8EPZ

Camizestrant is an orally available selective estrogen receptor degrader (SERD), with potential antineoplastic activity. Upon administration, camizestrant binds to the estrogen receptor (ER) and induces a conformational change that results in the degradation of the receptor. This prevents ER-mediated signaling and inhibits the growth and survival of ER-expressing cancer cells.

1 2D Structure

AZD9833

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine

2.1.2 InChI

InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/t15-,23+/m1/s1

2.1.3 InChI Key

WDHOIABIERMLGY-CMJOXMDJSA-N

2.1.4 Canonical SMILES

CC1CC2=C(C=CC3=C2C=NN3)C(N1CC(F)(F)F)C4=NC=C(C=C4)NC5CN(C5)CCCF

2.1.5 Isomeric SMILES

C[C@@H]1CC2=C(C=CC3=C2C=NN3)[C@H](N1CC(F)(F)F)C4=NC=C(C=C4)NC5CN(C5)CCCF

2.2 Other Identifiers

2.2.1 UNII

JUP57A8EPZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Azd-9833

2. Azd9833

3. N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6s,8r)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo(4,3-f)isoquinolin-6-yl)pyridin-3-amine

2.3.2 Depositor-Supplied Synonyms

1. Azd-9833

2. Unii-jup57a8epz

3. Azd9833

4. 2222844-89-3

5. Camizestrant [usan]

6. Jup57a8epz

7. Az14066724

8. Az-14066724

9. N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6s,8r)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine

10. 3-pyridinamine, N-(1-(3-fluoropropyl)-3-azetidinyl)-6-((6s,8r)-6,7,8,9-tetrahydro-8-methyl-7-(2,2,2-trifluoroethyl)-3h-pyrazolo(4,3-f)isoquinolin-6-yl)-

11. Camizestrant [inn]

12. Camizestrant [who-dd]

13. Chembl4650365

14. Schembl20089710

15. Ex-a5025

16. Nsc828717

17. Who 11592

18. At22885

19. Nsc-828717

20. Hy-136255

21. Cs-0121043

22. N-(1-(3-fluoropropyl)-3-azetidinyl)-6-((6s,8r)-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3h-pyrazolo(4,3-f)isoquinolin-6-yl)-3-pyridinamine

23. N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6s,8r)-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3h-pyrazolo[4,3-f]isoquinolin-6-yl)pyridin-3-amine

2.4 Create Date

2018-06-23

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₈F₄N₆
Molecular Weight	476.5 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	476.23115757 g/mol
Monoisotopic Mass	476.23115757 g/mol
Topological Polar Surface Area	60.1 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	674
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1