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Chemistry

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Also known as: Unii-nzw2bow35n, 929046-33-3, Nt-814, Elinzanetant [inn], Elinzanetant [usan], Nzw2bow35n
Molecular Formula
C33H35F7N4O3
Molecular Weight
668.6  g/mol
InChI Key
DWRIJNIPBUFCQS-DQEYMECFSA-N
FDA UNII
NZW2BOW35N

Elinzanetant
1 2D Structure

Elinzanetant

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
2.1.2 InChI
InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1
2.1.3 InChI Key
DWRIJNIPBUFCQS-DQEYMECFSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC5COCCN5CC4CO
2.1.5 Isomeric SMILES
CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4C[C@H]5COCCN5C[C@H]4CO
2.2 Other Identifiers
2.2.1 UNII
NZW2BOW35N
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Unii-nzw2bow35n

2. 929046-33-3

3. Nt-814

4. Elinzanetant [inn]

5. Elinzanetant [usan]

6. Nzw2bow35n

7. Bay3427080

8. Bay-3427080

9. 2-(3,5-bis(trifluoromethyl)phenyl)-n-(4-(4-fluoro-2-methylphenyl)-6-((7s,9as)-7-(hydroxymethyl)hexahydropyrazino(2,1-c)(1,4)oxazin-8(1h)-yl)-3-pyridinyl)-n,2-dimethylpropanamide

10. 2-[3,5-bis(trifluoromethyl)phenyl]-n-{4-(4-fluoro-2-methylphenyl)-6-[(7s,9as)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-3-pyridinyl}-n,2-dimethylpropanamide

11. Elinzanetant [who-dd]

12. Schembl303180

13. Chembl4802157

14. Dtxsid101337049

15. Ex-a6225

16. Who 10952

17. Hy-109171

18. Cs-0116361

19. 2-[3,5-bis(trifluoromethyl)phenyl]-n-{4-(4-fluoro-2-methylphenyl)-6-[(7s,9as)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]pyridin-3-yl}-n,2-dimethylpropanamide

20. Benzamide, 3-(5-methyl-2-tbenzeneacetamide, N-(4-(4-fluoro-2-methylphenyl)-6-((7s,9as)-hexahydro-7-(hydroxymethyl)pyrazino(2,1-c)(1,4)oxazin-8(1h)-yl)-3-pyridinyl)-n,.alpha.,.alpha.-trimethyl-3,5-bis(trifluoromethyl)-

21. Benzamide, 3-(5-methyl-2-tbenzeneacetamide, N-(4-(4-fluoro-2-methylphenyl)-6-((7s,9as)-hexahydro-7-(hydroxymethyl)pyrazino(2,1-c)(1,4)oxazin-8(1h)-yl)-3-pyridinyl)-n,alpha,alpha-trimethyl-3,5-bis(trifluoromethyl)-

22. N-[6-[(7s,9as)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1h-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethylpropanamide

2.4 Create Date
2007-05-22
3 Chemical and Physical Properties
Molecular Weight 668.6 g/mol
Molecular Formula C33H35F7N4O3
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass668.25973813 g/mol
Monoisotopic Mass668.25973813 g/mol
Topological Polar Surface Area69.1 Ų
Heavy Atom Count47
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

Drugs in Development

read-more
read-more

Details:

BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable September 10, 2024

blank

01

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms.

Brand Name : BAY3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

September 10, 2024

blank

Details:

BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable September 04, 2024

blank

02

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms.

Brand Name : BAY3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

September 04, 2024

blank

Details:

BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable August 01, 2024

blank

03

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms.

Brand Name : BAY3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

August 01, 2024

blank

Details:

BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable May 16, 2024

blank

04

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms.

Brand Name : BAY3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

May 16, 2024

blank

Details:

BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms (VMS, also known as hot flashes.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable May 08, 2024

blank

05

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms (VMS, also known as hot flashes.

Brand Name : BAY3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

May 08, 2024

blank

Details:

BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms (VMS, also known as hot flashes.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable March 19, 2024

blank

06

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY3427080 (elinzanetant) is the first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is being evaluated for the treatment of moderate to severe vasomotor symptoms (VMS, also known as hot flashes.

Brand Name : BAY3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

March 19, 2024

blank

Details:

BAY-3427080 (elinzanetant) is a first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is in phase 2 clinical development for the treatment of sleep disturbances associated with menopause.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY-3427080

Study Phase: Phase IIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable January 08, 2024

blank

07

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY-3427080 (elinzanetant) is a first dual neurokinin-1,3 (NK-1,3) receptor antagonist, which is in phase 2 clinical development for the treatment of sleep disturbances associated with menopause.

Brand Name : BAY-3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

January 08, 2024

blank

Details:

BAY-3427080 (elinzanetant) is a first dual neurokinin-1,3 (NK-1,3) receptor antagonist, in late-stage clinical development for the non-hormonal treatment of moderate to severe VMS associated with menopause, administered orally once daily.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY-3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable January 08, 2024

blank

08

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY-3427080 (elinzanetant) is a first dual neurokinin-1,3 (NK-1,3) receptor antagonist, in late-stage clinical development for the non-hormonal treatment of moderate to severe VMS associated with menopause, administered orally once daily.

Brand Name : BAY-3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

January 08, 2024

blank

Details:

BAY3427080 (elinzanetant) is an oral, once-daily, non-hormonal, selective neurokinin-1,3 (NK-1,3) receptor antagonist that is being studied for the reduction of vasomotor symptoms (VMS).


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable February 02, 2023

blank

09

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY3427080 (elinzanetant) is an oral, once-daily, non-hormonal, selective neurokinin-1,3 (NK-1,3) receptor antagonist that is being studied for the reduction of vasomotor symptoms (VMS).

Brand Name : BAY3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

February 02, 2023

blank

Details:

BAY3427080 (elinzanetant) is a non-hormonal, orally administered, dual neurokinin-1,3 receptor antagonist currently in clinical development for the treatment of vasomotor symptoms during menopause.


Lead Product(s): Elinzanetant

Therapeutic Area: Obstetrics/Gynecology (Women’s Health) Brand Name: BAY3427080

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable November 07, 2022

blank

10

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Bayer AG

Germany
arrow
Discovery on Target
Not Confirmed

Details : BAY3427080 (elinzanetant) is a non-hormonal, orally administered, dual neurokinin-1,3 receptor antagonist currently in clinical development for the treatment of vasomotor symptoms during menopause.

Brand Name : BAY3427080

Molecule Type : Small molecule

Upfront Cash : Not Applicable

November 07, 2022

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