WORTMANNIN CAS#: 19545-26-7; 凯望编码 (ChemWhat Code): 68569

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名WORTMANNIN
IUPAC Name[(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate
分子结构
CAS编号 19545-26-7
EINECS Number606-337-5
MDL NumberMFCD00133927
Beilstein Registry Number67676
别名wortmannin
19545-26-7
Wartmannin
KY 12420
Antibiotic SL-2052
SL-2052
MFCD00133927
NSC221019
XVA4O219QW
KY-12420
MLS002703028
CHEMBL428496
CHEBI:52289
NSC-627609
(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate
C23H24O8
(1alpha,11alpha)-11-(Acetyloxy)-1-(methoxymethyl)-2-oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione
(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate
(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate
(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate.
(1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate
UNII-XVA4O219QW
wortmanin
NSC627609
Wortmannin, Wm
3H-FURO(4,3,2-DE)INDENO(4,5-H)-2-BENZOPYRAN-3,6,9-TRIONE, 11-(ACETYLOXY)-1,6B,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHYL)-9A,11B-DIMETHYL-, (1S,6BR,9AS,11R,11BR)-
3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-
SL-2052;KY-12420
nchembio866-comp1
NSC 627609
BRN 0067676
WORTMANNIN [MI]
(+)-WORTMANNIN
SCHEMBL4531
BSPBio_001232
4-19-00-03134 (Beilstein Handbook Reference)
cid_312145
GTPL6060
MEGxm0_000446
DTXSID8040642
Wortmannin,Penicillium wortmannin
ACon0_000951
BDBM15234
HMS1792N13
HMS1990N13
HMS3403N13
Wortmannin, Penicillium funiculosum
EX-A1930
s2758
ST-415
AKOS027327288
Wortmannin – CAS 19545-26-7
CCG-208290
CS-5073
DB08059
KY12420
NSC-221019
Wortmannin, from Penicillium funiculosum
Wortmannin; SL-2052; KY-12420
NCGC00163485-01
NCGC00163485-02
AC-35862
BS-16306
HY-10197
NCI60_001835
SMR001566836
W0007
CU-00000000011-1
J-012661
BRD-K87343924-001-02-4
3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE
Wortmannin, from Penicillium funiculosum, >=98% (HPLC and TLC)
3H-furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,
(1R,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b- decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate
(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-ylacetate
(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,
[(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate
2-Oxaandrosta-5,5,4-bc]furan-3,7,17-trione, 11-(acetyloxy)-1-(methoxymethyl)-, (1.alpha.,11.alpha.)-
3H-Furo[4,2-de]indeno[4,5,-h]-2-benzopyran-3,6,9-trione, 11-(Acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR)
3H-Furo[4,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR)
3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-
3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-
6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-
octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, [1S-(1alpha,6baalpha,9abeta,11alpha,11bbeta)]-
分子式C23H24O8
分子量428.4
InChIInChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
InChI KeyQDLHCMPXEPAAMD-QAIWCSMKSA-N
Isomeric SMILESCC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C 

Physical Data

AppearanceWhite or off-white powder

Spectra

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Wortmannin CAS 19545-26-7
Route of Synthesis (ROS) of Wortmannin CAS 19545-26-7

Safety and Hazards

Pictogram(s)skull
SignalDanger
GHS Hazard StatementsH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]
H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement CodesP260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

HS Code
StorageStore at -20°C for long time, sealed and away from light.
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
分子量428.439
logP0.714
HBA7
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)109.11
Rotatable Bond (RotB)4
Matching Veber Rules2
Use Pattern
WORTMANNIN CAS#: 19545-26-7 is a fungal metabolite, a product of Penicillium, and a specific inhibitor of phosphatidylinositol 3-kinase (PI3K). Mainly used in pharmaceutical intermediates.

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