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Chemistry

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Also known as: Vanzacaftor [inn], Com1pop492, Unii-com1pop492, 2374124-49-7, Vanzacaftor [usan], Schembl21256307
Molecular Formula
C32H39N7O4S
Molecular Weight
617.8  g/mol
InChI Key
VCSUIBJKYCVWNF-NRFANRHFSA-N
FDA UNII
COM1POP492

Vanzacaftor
1 2D Structure

Vanzacaftor

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(14S)-8-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]-12,12-dimethyl-2,2-dioxo-26-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one
2.1.2 InChI
InChI=1S/C32H39N7O4S/c1-30(2)19-21-5-4-16-33-24-6-3-7-27(34-24)44(41,42)37-29(40)22-8-9-25(35-28(22)38(30)20-21)39-17-10-26(36-39)43-18-11-23-31(12-13-31)32(23)14-15-32/h3,6-10,17,21,23H,4-5,11-16,18-20H2,1-2H3,(H,33,34)(H,37,40)/t21-/m0/s1
2.1.3 InChI Key
VCSUIBJKYCVWNF-NRFANRHFSA-N
2.1.4 Canonical SMILES
CC1(CC2CCCNC3=NC(=CC=C3)S(=O)(=O)NC(=O)C4=C(N1C2)N=C(C=C4)N5C=CC(=N5)OCCC6C7(C68CC8)CC7)C
2.1.5 Isomeric SMILES
CC1(C[C@@H]2CCCNC3=NC(=CC=C3)S(=O)(=O)NC(=O)C4=C(N1C2)N=C(C=C4)N5C=CC(=N5)OCCC6C7(C68CC8)CC7)C
2.2 Other Identifiers
2.2.1 UNII
COM1POP492
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Vanzacaftor [inn]

2. Com1pop492

3. Unii-com1pop492

4. 2374124-49-7

5. Vanzacaftor [usan]

6. Schembl21256307

7. Vx-121

8. Hy-145603

9. Cs-0376693

10. 13h-17,20-methano-8,12-nitrilo-12h-pyrido[3,2-d][1,2,6,13]thiatriazacyclooctadecin-5(6h)-one, 2-[3-(2-dispiro[2.0.2.1]hept-7-ylethoxy)-1h-pyrazol-1-yl]-14,15,16,17,18,19-hexahydro-19,19-dimethyl-, 7,7-dioxide, (17s)-

2.4 Create Date
2019-11-02
3 Chemical and Physical Properties
Molecular Weight 617.8 g/mol
Molecular Formula C32H39N7O4S
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area140
Heavy Atom Count44
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

Drugs in Development

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Details:

VX-121/VX-661/VX-561 (vanzacaftor/tezacaftor/deutivacaftor) is a combination of three CFTR modulators. It is being evaluated in phase 3 clinial trials for the treatment of Cystic Fibrosis.


Lead Product(s): Vanzacaftor,Tezacaftor,Deutivacaftor

Therapeutic Area: Genetic Disease Brand Name: VX-121

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable July 02, 2024

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01

PharmaVenue
Not Confirmed
PharmaVenue
Not Confirmed

Details : VX-121/VX-661/VX-561 (vanzacaftor/tezacaftor/deutivacaftor) is a combination of three CFTR modulators. It is being evaluated in phase 3 clinial trials for the treatment of Cystic Fibrosis.

Brand Name : VX-121

Molecule Type : Small molecule

Upfront Cash : Not Applicable

July 02, 2024

blank

Details:

VX-121/VX-661/VX-561 (vanzacaftor/tezacaftor/deutivacaftor) is a combination of three CFTR modulators. It is being evaluated in phase 3 clinial trials for the treatment of Cystic Fibrosis.


Lead Product(s): Vanzacaftor,Tezacaftor,Deutivacaftor

Therapeutic Area: Genetic Disease Brand Name: VX-121

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable February 05, 2024

blank

02

PharmaVenue
Not Confirmed
PharmaVenue
Not Confirmed

Details : VX-121/VX-661/VX-561 (vanzacaftor/tezacaftor/deutivacaftor) is a combination of three CFTR modulators. It is being evaluated in phase 3 clinial trials for the treatment of Cystic Fibrosis.

Brand Name : VX-121

Molecule Type : Small molecule

Upfront Cash : Not Applicable

February 05, 2024

blank

Details:

The combination of VX-121/tezacaftor/VX-561 was first identified as having potential for increased efficacy based on its ability to drive higher levels of chloride transport compared to TRIKAFTA (elexacaftor/tezacaftor/ivacaftor /ivacaftor) in human bronchial epithelial cells.


Lead Product(s): Vanzacaftor,Tezacaftor,Deutivacaftor

Therapeutic Area: Genetic Disease Brand Name: VX-121

Study Phase: Phase IIProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable July 28, 2021

blank

03

PharmaVenue
Not Confirmed
PharmaVenue
Not Confirmed

Details : The combination of VX-121/tezacaftor/VX-561 was first identified as having potential for increased efficacy based on its ability to drive higher levels of chloride transport compared to TRIKAFTA (elexacaftor/tezacaftor/ivacaftor /ivacaftor) in human bron...

Brand Name : VX-121

Molecule Type : Small molecule

Upfront Cash : Not Applicable

July 28, 2021

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