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Technical details about 7-Hydroxystaurosporine, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Ucn-02, Chembl574737, 121569-61-7, Ucn 02, Kw-2401, Ucn01
Molecular Formula
C28H26N4O4
Molecular Weight
482.5  g/mol
InChI Key
PBCZSGKMGDDXIJ-KRUBCLEUSA-N

(2S,3R,4R,6R,18S)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1,.0,.0,.0,.0,.0,]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one is a natural product found in Streptomyces with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3R,4R,6R,18S)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
2.1.2 InChI
InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1
2.1.3 InChI Key
PBCZSGKMGDDXIJ-KRUBCLEUSA-N
2.1.4 Canonical SMILES
CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC
2.1.5 Isomeric SMILES
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@@H](NC6=O)O)NC)OC
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 7-epi-hydroxystaurosporine

2. 7-hydroxy-staurosporine

3. 7-hydroxystaurosporine

4. 8,12-epoxy-1h,8h-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)triinden-1-one, 2,3,9,10,11,12-hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-

5. Ucn 01

6. Ucn 02

7. Ucn-02

2.2.2 Depositor-Supplied Synonyms

1. Ucn-02

2. Chembl574737

3. 121569-61-7

4. Ucn 02

5. Kw-2401

6. Ucn01

7. Schembl16946789

8. Dtxsid60923867

9. Hms3229l19

10. Bdbm50280450

11. Nsc800958

12. Zinc33901069

13. Nsc-800958

14. Ncgc00346827-02

15. Ucn-01, >=97% (hplc), Powder

16. 8,12-epoxy-1h,8h-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-

17. 9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazon-1-one, 2,3,10,11,12,13-hexahydro-3-hydroxy-10-methoxy-9-methyl-11-(methylamino)-, (3-alpha,9-alpha,10-beta,11-beta,13-alpha)-

18. Hy-108262

19. Cs-0027882

20. (2s,3r,4r,6r,18s)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

21. 18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2r,3s,4s,6s)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one

22. 8-methoxy-9-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacene-14,16-diol

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 482.5 g/mol
Molecular Formula C28H26N4O4
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass482.19540532 g/mol
Monoisotopic Mass482.19540532 g/mol
Topological Polar Surface Area89.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count5
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

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)


Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)


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