CAS No.19545-26-7,WORTMANNIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	19545-26-7
Name:	WORTMANNIN
Article Data:	8

Formula:	C₂₃H₂₄O₈
Molecular Weight:	428.439
Synonyms:	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-(1a,6ba,9ab,11a,11bb)]-;(+)-Wortmannin;KY 12420;Wortmannin;
EINECS:	214-538-0
Density:	1.39 g/cm³
Melting Point:	234-240 °C
Boiling Point:	615.6 °C at 760 mmHg
Flash Point:	326.1 °C
Solubility:	DMSO: soluble
Appearance:	White to pale yellow powder
Hazard Symbols:	Xi,T+,T
Risk Codes:	26/27/28
Safety:	28-36/37-45
Transport Information:	UN 3462
PSA:	109.11000
LogP:	2.53640

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Specification

The Wortmannin, with the CAS registry number 19545-26-7, is also known as (1alpha,11alpha)-11-(Acetyloxy)-1-(methoxymethyl)-2-oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione. It belongs to the product categories of Antibiotics; Lipid signaling; Signalling. Its EINECS registry number is 214-538-0. This chemical's molecular formula is C₂₃H₂₄O₈ and molecular weight is 428.43186. Its IUPAC name is called (1S,6betaR,9alphaS,11R,11betaR)-1-(methoxymethyl)-9alpha,11beta-dimethyl-3,6,9-trioxo-1,6,6beta,7,8,9,9alpha,10,11,11beta-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate. This chemical's classification codes are Anti-Infective Agents; Antibiotics, antifungal; Antifungal Agents; Drug / Therapeutic Agent; Enzyme inhibitors; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Immunologic Factors; Immunosuppressive agents; Insulin antagonists; Natural Product; Neurotransmitter Agents; Phosphodiesterase inhibitors; Protein Kinase Inhibitors; Radiation-Sensitizing Agents; Serotonin Agents; Serotonin antagonists.

Physical properties of Wortmannin: (1)ACD/LogP: 0.81; (2)#H bond acceptors: 8; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.591; (5)Molar Refractivity: 104.12 cm³; (6)Molar Volume: 308 cm³; (7)Surface Tension: 57.1 dyne/cm; (8)Density: 1.39 g/cm³; (9)Flash Point: 326.1 °C; (10)Enthalpy of Vaporization: 91.32 kJ/mol; (11)Boiling Point: 615.6 °C at 760 mmHg; (12)Vapour Pressure: 4.35E-15 mmHg at 25°C.

Wortmannin is a specific, covalent inhibitor of phosphoinositide 3-kinases. Besides, it is a commonly used cell biology reagent that has been used previously in research to inhibit DNA repair, receptor-mediated endocytosis and cell proliferation.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\3c2occ1C(=O)O[C@@H]([C@@](c12)(/C5=C/3[C@H]4[C@](C(=O)CC4)(C)C[C@H]5OC(=O)C)C)COC
(2)InChI: InChI=1/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
(3)InChIKey: QDLHCMPXEPAAMD-QAIWCSMKBP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	18mg/kg (18mg/kg)		"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 168, 1981.
rat	LDLo	oral	10mg/kg (10mg/kg)		Experientia. Vol. 30, Pg. 135, 1974.