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Ustekinumab

Ustekinumab

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

2 API Suppliers, 2 Listed Suppliers

DEVELOPMENTS

51 Drug(s) in Development

51 Drug(s) in Development

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36 Dossiers, 3 FDA Orange Book, 9 Europe, 3 Canada, 18 Australia, 3 South Africa

RELATED EXCIPIENT COMPANIES

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10 Solubilizers, 7 Parenteral, 4 Topical, 3 Taste Masking, 3 Coating Systems & Additives, 3 Emulsifying Agents, 3 Thickeners and Stabilizers, 2 Surfactant & Foaming Agents, 1 Film Formers & Plasticizers, 1 Co-Processed Excipients, 1 Direct Compression, 1 Rheology Modifiers, 1 API Stability Enhancers

GLOBAL SALES INFORMATION

7 US Medicaid Prescriptions, 5 Finished Drug Prices

PATENTS

3 Health Canada Patents

3 Health Canada Patents

DIGITAL CONTENT

1 Data Compilations & Company Tracker #PharmaFlow, 120 News

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USA (Orange Book)

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U.S. Medicaid

3,518.63

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5,251.00

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Also known as: Wr99210, 47326-86-3, Wr-99210, 1,3,5-triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-, Brl 6231, Chembl129788

Molecular Formula

C₁₄H₁₈Cl₃N₅O₂

Molecular Weight

394.7 g/mol

InChI Key

MJZJYWCQPMNPRM-UHFFFAOYSA-N

1 2D Structure

Ustekinumab

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine

2.1.2 InChI

InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)

2.1.3 InChI Key

MJZJYWCQPMNPRM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 4,6-diamino-(1,2-dihydro)-2,2-dimethyl-1-(2,4,5-trichlorophenoxypropyloxy)-1,3,5-triazine.hcl

2. Brl 51084

3. Brl 6231

4. Brl 6231hydrochloride

5. Brl 6231mono-hydrobromide

6. Brl-51084

7. Brl-6231

8. Unspecified Hcl Of Brl 6231

9. Wr 99210

10. Wr-99210

11. Wr99210-hcl

2.2.2 Depositor-Supplied Synonyms

1. Wr99210

2. 47326-86-3

3. Wr-99210

4. 1,3,5-triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-

5. Brl 6231

6. Chembl129788

7. Wr 99210

8. 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine

9. 1,6-dihydro-6,6-dimethyl-1-(3-(2,4,5-trichlorophenoxy)-propoxy)-1,3,5-triazine-2 ,4-diamine

10. 1,6-dihydro-6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine

11. 6,6-dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-1,6-dihydro-1,3,5-triazine-2,4-diamine

12. 1,3,5-triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-

13. Wra

14. Brn 0629517

15. Wr-99,210

16. 1-(2',4',5'-trichlorophenoxypropoxy)-1,2-dihydro-2,2-dimethyl-4,6-diamino-s-triazine

17. 1,6-dihydro-6,6-dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-1,3,5-triazine-2,4-diamine, Monohydrochloride

18. Schembl8635467

19. Bdbm18793

20. Dtxsid30952947

21. Xba32686

22. Zinc3581056

23. Wr-99209 (*hydrogen Bromide*)

24. Brl 6231 (*monohydrogen Chloride*)

25. Db08734

26. 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazinane-2,4-diimine

27. 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[(2,4,5-trichlorophenoxy)propyloxy]-1,3,5-triazine

28. Hy-116387

29. Cs-0065315

30. Q27467334

31. 2,2-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-4,6-diamine

32. 4-imino-6,6-dimethyl-5-[3-(2,4,5-trichlorophenoxy)propoxy]-1h-1,3,5-triazin-2-amine

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈Cl₃N₅O₂
Molecular Weight	394.7 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	393.052608 g/mol
Monoisotopic Mass	393.052608 g/mol
Topological Polar Surface Area	98.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	503
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Folic Acid Antagonists

Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033) (See all compounds classified as Folic Acid Antagonists.)

Antimalarials

Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585) (See all compounds classified as Antimalarials.)