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694-83-7

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

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1 Suppliers, 1 End Use APIs, 7 Related Intermediates

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1 End Use APIs
7 Related Intermediates

Chemistry

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Also known as: Cyclohexane-1,2-diamine, 1,2-diaminocyclohexane, 694-83-7, Cyclohex-1,2-ylenediamine, (rel)-oxaliplatin, Dtxsid0027301

Molecular Formula

C₆H₁₄N₂

Molecular Weight

114.19 g/mol

InChI Key

SSJXIUAHEKJCMH-UHFFFAOYSA-N

1 2D Structure

694-83-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclohexane-1,2-diamine

2.1.2 InChI

InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2

2.1.3 InChI Key

SSJXIUAHEKJCMH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(C(C1)N)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1,2-cyclohexanediamine, (1r,2r)-

2. 1,2-cyclohexanediamine, (1r-trans)-

3. 1,2-cyclohexanediamine, (1s,2s)-

4. 1,2-cyclohexanediamine, (1s-trans)-

5. 1,2-cyclohexanediamine, (cis)-isomer

6. 1,2-cyclohexanediamine, (trans)-(r)-isomer

7. 1,2-cyclohexanediamine, (trans)-(s)-isomer

8. 1,2-cyclohexanediamine, (trans)-isomer

9. 1,2-dach

10. 1,2-diaminocyclohexane

11. 1,2-diaminocyclohexane, (+)-

12. 1,2-diaminocyclohexane, (-)-

13. 1,2-diaminocyclohexane, Cis-

14. 1,2-diaminocyclohexane, Trans-

15. Cyclohexane-1,2-diamine

16. Dach

17. Meso-1,2-diaminocyclohexane

18. Trans-1,2-cyclohexanediamine

19. Trans-1,2-diaminocyclohexane

2.2.2 Depositor-Supplied Synonyms

1. Cyclohexane-1,2-diamine

2. 1,2-diaminocyclohexane

3. 694-83-7

4. Cyclohex-1,2-ylenediamine

5. (rel)-oxaliplatin

6. Dtxsid0027301

7. Dtxcid707301

8. 1,2-cylohexanediamine

9. Cas-694-83-7

10. Dach

11. Cis-1,2-cyclohexandiamine

12. Hsdb 5748

13. (r,r)-dach

14. Trans-1,2-cyclohexaneiamine

15. Einecs 211-776-7

16. Unii-c82tx76bhh

17. Brn 0506142

18. Pyridoxal Phosphate (calcium Salt)

19. (+)-s,s-1,2-diaminocyclohexane

20. Mfcd00062985

21. Rac-(1r,2r)-cyclohexane-1,2-diamine

22. (1r,2s)-1,2-diaminocyclohexane; (r)(s)-1,2-diaminocyclohexane; (+/-)-cis-cyclohexane-1,2-diamine; Cis-(1s,2r)-1,2-diaminocyclohexane; Cis-1,2-cyclohexanediamine; Cis-1,2-diaminocyclohexane

23. 1,2-diamino Cyclohexane

24. Cyclohexane 1,2-diamine

25. Ec 211-776-7

26. 1,2-diaminocyclohexane,c&t

27. C82tx76bhh

28. Schembl29457

29. 0-13-00-00001 (beilstein Handbook Reference)

30. Schembl687020

31. Pyridoxal, 5-(dihydrogen Phosphate), Calcium Salt (1:1) (8ci)

32. Dch-99

33. Chembl1356279

34. Chebi:93778

35. Bcp04075

36. Bcp22662

37. Tox21_201883

38. Tox21_303220

39. Bbl027344

40. Mfcd00001491

41. Nsc362640

42. Nsc362641

43. Stl372729

44. (+/-)-1,2-trans-diaminocyclohexane

45. Akos000119859

46. Akos016842498

47. Nsc-362640

48. Nsc-362641

49. Pb47571

50. Sb44188

51. Cyclohexanediamine1,2-cyclohexanediamine

52. Ncgc00166039-01

53. Ncgc00166039-02

54. Ncgc00257130-01

55. Ncgc00259432-01

56. Sy001269

57. Sy004140

58. Vs-08529

59. (1r,2r)-(-)- 1,2-diaminocyclohexane

60. Db-010810

61. Db-011652

62. Db-027311

63. Db-042698

64. Am20070551

65. D0277

66. Ns00002024

67. En300-19626

68. (1s)-trans-1,2-cyclohexanediamine; (s,s)-dach

69. L000760

70. W-104620

71. Q27165475

72. Z104474510

73. (' Inverted Exclamation Marka)-trans-1,2-diaminocyclohexan

74. (1r,2r)-cyclohexane-1,2-diamine;(1r,2r)-(-)-1,2-cyclohexanediamine

75. 1224727-05-2

2.3 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄N₂
Molecular Weight	114.19 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52
Heavy Atom Count	8
Formal Charge	0
Complexity	62.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Therapeutic Uses

MALONATO-, HYDROXYMALONATO-, DINITRO-, HYDROXONITRATO-, & SULFATO(1,2-DIAMINOCYCLOHEXANE) PLATINUM(II), PREPARED FROM DICHLORO(1,2-DIAMINOCYCLOHEXANE WERE MORE EFFECTIVE THAN DICHLORO (1,2-DIAMINOCYCLOHEXANE)PLATINUM(II) IN THE TREATMENT OF L1210 LEUKEMIA IN MICE, BOTH ALONE & IN COMBINATION WITH CYCLOPHOSPHAMIDE OR YOSHI 864.

GALE GR, MEISCHEN SJ; 1,2-DIAMINOCYCLOHEXANE PLATINUM(II) COMPLEXES HAVING ANTINEOPLASTIC ACTIVITY; US PATENT APPLICATION PATENT NUMBER 719689 9/02/76 (US DEPT OF HEALTH, EDUCATION & WELFARE)

5 Pharmacology and Biochemistry

5.1 Mechanism of Action

/PLATINUM CO-ORDINATION COMPLEXES/ SHARE THE COMMON FORMULA PTA2X2... THE ACTIVE LIGANDS ARE MONODENTATE ANIONS OF INTERMEDIATE LEAVING ABILITY, WHEREAS THE AMINE A LIGANDS INFLUENCE THE SOLUBILITY OF THE COMPLEX. THE STEREOSPECIFICITY OF THE ANTI-TUMOR EFFECT IS AN IMPORTANT PROPERTY OF THE PLATINUM COMPLEXES. ... INDIRECT EVIDENCE SUGGESTS THAT BINDING TO ADJACENT GUANINE BASES IN THE SAME DNA STRAND IS IMPORTANT TO THE MODE OF ACTION. AFTER INITIAL BINDING TO GUANINE BASES, DNA BECOMES LOCALLY DENATURED AND EXPOSES ADDITIONAL CROSS-LINKING SITES. /PLATINUM COMPLEXES/

The Royal Society of Chemistry. Foreign Compound Metabolism in Mammals. Volume 6: A Review of the Literature Published during 1978 and 1979. London: The Royal Society of Chemistry, 1981., p. 364

...THE TOXIC EFFECT ON ANIMALS OF PLATINUM ITSELF DIFFERS ESSENTIALLY FROM THAT OF THE COMPLEX SALTS. ...THE ACTION OF THESE SALTS IS NOT DUE TO THE SEPARATE COMPONENTS, PLATINUM AND THE BASE, BUT TO THAT OF THE MOLECULE AS A WHOLE ON SENSITIVE TISSUES, AND THEIR PHYSIOLOGICAL EFFECT, THOUGH VARYING IN DEGREE, IS IDENTICAL IN CHARACTER. ...AN INCREASE IN THE VALENCY OF THE AMMONIUM COMPONENT WAS ASSOCIATED WITH A STRONGER "CURARE-LIKE" ACTION WHILE A CHANGE IN THE VALENCY OF THE PLATINUM HAD NO INFLUENCE ON THE TOXIC EFFECT. /PLATINUM COMPLEXES/

Browning, E. Toxicity of Industrial Metals. 2nd ed. New York: Appleton-Century-Crofts, 1969., p. 271

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