Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C76H52O46.C27H39NO3 |
| Molecular Weight | 2126.8019 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]3(CC[C@]4([H])C(C(=O)[C@@]5([H])[C@@]4([H])CC=C6C[C@@H](O)CC[C@]56C)=C3C)O2.OC7=CC(=CC(O)=C7O)C(=O)OC8=CC(=CC(O)=C8O)C(=O)OC[C@H]9O[C@@H](OC(=O)C%10=CC(O)=C(O)C(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)=C%10)[C@H](OC(=O)C%12=CC(O)=C(O)C(OC(=O)C%13=CC(O)=C(O)C(O)=C%13)=C%12)[C@@H](OC(=O)C%14=CC(O)=C(O)C(OC(=O)C%15=CC(O)=C(O)C(O)=C%15)=C%14)[C@@H]9OC(=O)C%16=CC(O)=C(O)C(OC(=O)C%17=CC(O)=C(O)C(O)=C%17)=C%16
InChI
InChIKey=ILZNSORIOPBINX-BMBUXRDQSA-N
InChI=1S/C76H52O46.C27H39NO3/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h1-20,52,63-65,76-101H,21H2;5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t52-,63-,64+,65-,76+;14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m10/s1
DescriptionCurator's Comment: description was created based on several sources, including:
https://en.wikipedia.org/wiki/Jervine | https://www.google.com/patents/US20150259313
Curator's Comment: description was created based on several sources, including:
https://en.wikipedia.org/wiki/Jervine | https://www.google.com/patents/US20150259313
Jervine (11-Ketocyclopamine) is a naturally occuring steroidal alkaloid is derived from the Veratrum plant species. Jervine is a teratogen implicated in birth defects when consumed by animals during a certain period of their gestation. Over the Hedgehog signaling pathway Jervine effectively inhibit the tumor growth using three human tumor xenograft models including lung cancer, pancreatic cancer and basal cell carcinoma. Jervine has the potential to advance to a treatment for different tumors.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Small-molecule modulators of Hedgehog signaling: identification and characterization of Smoothened agonists and antagonists. | 2002 Nov 6 |
|
| Cyclopamine and jervine in embryonic rat tongue cultures demonstrate a role for Shh signaling in taste papilla development and patterning: fungiform papillae double in number and form in novel locations in dorsal lingual epithelium. | 2003 Feb 1 |
|
| Hedgehog signaling is required at multiple stages of zebrafish tooth development. | 2010 Nov 30 |
|
| Characterization and identification of steroidal alkaloids in Fritillaria species using liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry. | 2010 Nov 5 |
Patents
Sample Use Guides
Oral: 40 or 60 or 80 mg/kg once every day (during 21 days).
Intravenous: 20 or 40 or 80 mg/kg once every day (during 21 days).
Route of Administration:
Other
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165411851
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4L3IA7D34B
Created by
admin on Sat Dec 16 01:03:34 GMT 2023 , Edited by admin on Sat Dec 16 01:03:34 GMT 2023
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ACTIVE MOIETY
SUBSTANCE RECORD
