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Chemistry

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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

Ustekinumab
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 Weight 394.7 g/mol
Molecular Formula C14H18Cl3N5O2
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass393.052608 g/mol
Monoisotopic Mass393.052608 g/mol
Topological Polar Surface Area98.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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.)


API SUPPLIERS

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Shanghai Minbiotech

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

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FDF Dossiers

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Amgen Inc

U.S.A
World Vaccine Congress
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Amgen Inc

U.S.A
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USTEKINUMAB-AUUB

Brand Name : WEZLANA

Dosage Form : INJECTABLE;INTRAVENOUS, SUBCUTANEOUS

Dosage Strength : 130MG/26ML

Packaging :

Approval Date :

Application Number : 761331

Regulatory Info :

Registration Country : USA

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Centocor

U.S.A
World Vaccine Congress
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Centocor

U.S.A
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USTEKINUMAB

Brand Name : STELARA

Dosage Form : INJECTABLE; INJECTION

Dosage Strength : 45MG/0.5ML

Packaging :

Approval Date :

Application Number : 125261

Regulatory Info :

Registration Country : USA

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Centocor

U.S.A
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Centocor

U.S.A
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USTEKINUMAB

Brand Name : FINLIUS I.V.

Dosage Form : SOLUTION

Dosage Strength : 5MG/ML

Packaging :

Approval Date :

Application Number : 2537311

Regulatory Info : Prescription

Registration Country : Canada

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JAMP PHARMA

Canada
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JAMP PHARMA

Canada
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USTEKINUMAB

Brand Name : JAMTEKI

Dosage Form : SOLUTION

Dosage Strength : 90MG/1ML

Packaging :

Approval Date :

Application Number : 2543044

Regulatory Info : Prescription

Registration Country : Canada

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ustekinumab

Brand Name : STELARA

Dosage Form : SOLUTION FOR INJECTION, PRE-FILLED SYRINGE

Dosage Strength : 90 MG

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Registration Country : Sweden

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World Vaccine Congress
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Ustekinumabum

Brand Name : Stelara

Dosage Form : Inj L?s

Dosage Strength : 45mg/0.5ml

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Application Number :

Regulatory Info :

Registration Country : Switzerland

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Ustekinumabum

Brand Name : Stelara

Dosage Form : Inj L?s

Dosage Strength : 90mg/ml

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Regulatory Info :

Registration Country : Switzerland

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Ustekinumab

Brand Name : Stelara 130 mg

Dosage Form : INJ

Dosage Strength : 130mg

Packaging : 1X1mg

Approval Date :

Application Number :

Regulatory Info : Originator

Registration Country : South Africa

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ustekinumab

Brand Name : Stelara

Dosage Form :

Dosage Strength :

Packaging : 1

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Australia

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ustekinumab

Brand Name : Stelara

Dosage Form :

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Packaging : 1

Approval Date :

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Registration Country : Australia

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