CAS No.36011-19-5,CYTOCHALASIN E Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36011-19-5
Name:	CYTOCHALASIN E
Article Data:	2

Formula:	C₂₈H₃₃NO₇
Molecular Weight:	495.573
Synonyms:	21,23-Dioxa[13]cytochalasa-13, 19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16, 18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E)-;NSC 175151;[1,3]Dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione,3,13,14,14a,15,15a,16a,16b-octahydro-6-hydroxy-4,6,15,15a-tetramethyl-14-(phenylmethyl)-,[4S-(1E,4R,6S,7E,11aR,14R,14aR,15R,15aS,16aR,16bR*)]-;
EINECS:	252-835-7
Density:	1.309 g/cm³
Melting Point:	206 °C
Boiling Point:	705.057 °C at 760 mmHg
Flash Point:	380.205 °C
Solubility:	soluble in DMSO, ethyl acetate, ethanol, dichloromethane
Appearance:	White powder
Hazard Symbols:	T, T+
Risk Codes:	26/27/28-63
Safety:	28-36/37-45
Transport Information:	UN 1544 6.1/PG 2
PSA:	114.46000
LogP:	3.41770

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Specification

The Cytochalasin E, with the CAS registry number 36011-19-5, is also known as 21,23-Dioxa[13]cytochalasa-13,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-,(7S,13E,16S,18R,19E)-. It belongs to the product categories of Actin Inhibitors and Probes Cell Signaling and Neuroscience; Cell Signaling and Neuroscience; Cytoskeleton and Extracellular Matrix; Mold; Toxins and Venoms. Its EINECS number is 252-835-7. This chemical's molecular formula is C₂₈H₃₃NO₇ and molecular weight is 494.62. What's more, its systematic name is (1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione. Its classification codes are: (1)Angiogenesis Inhibitors; (2)Angiogenesis Modulating Agents; (3)Antineoplastic Agents; (4)Growth Inhibitors; (5)Growth Substances; (6)Natural Product; (7)Reproductive Effect.

Physical properties of Cytochalasin E are: (1)ACD/LogP: 3.135; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.11; (6)ACD/BCF (pH 7.4): 142.09; (7)ACD/KOC (pH 5.5): 1209.09; (8)ACD/KOC (pH 7.4): 1208.91; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 114.46 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 130.928 cm³; (15)Molar Volume: 378.471 cm³; (16)Polarizability: 51.904×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 380.205 °C; (20)Enthalpy of Vaporization: 108.319 kJ/mol; (21)Boiling Point: 705.057 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation, in contact with skin and if swallowed. It has a possible risk of harm to the unborn child. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you need wear suitable protective clothing and gloves. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1[C@@H](C)C/C=C/[C@@H]4[C@]2(OC(=O)O/C=C/[C@]1(O)C)C(=O)N[C@H]([C@@H]2[C@@H]([C@]3(O[C@H]34)C)C)Cc5ccccc5
(2)Std. InChI: InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
(3)Std. InChIKey: LAJXCUNOQSHRJO-ZYGJITOWSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	intraperitoneal	500ug/kg (.5mg/kg)	BEHAVIORAL: ATAXIA BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Toxicology and Applied Pharmacology. Vol. 32, Pg. 135, 1975.
mouse	LD50	intraperitoneal	2700ug/kg (2.7mg/kg)		Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 38, Pg. 438, 1979.
rat	LD50	intraperitoneal	2600ug/kg (2.6mg/kg)	BEHAVIORAL: ATAXIA BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Toxicology and Applied Pharmacology. Vol. 32, Pg. 135, 1975.
rat	LD50	intratracheal	1300ug/kg (1.3mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: COMA BEHAVIORAL: ATAXIA	Toxicology and Applied Pharmacology. Vol. 32, Pg. 135, 1975.
rat	LD50	oral	9100ug/kg (9.1mg/kg)	BEHAVIORAL: COMA BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Toxicology and Applied Pharmacology. Vol. 32, Pg. 135, 1975.