Homoharringtonine(CAS No. 26833-87-4)

Homoharringtonine C29H39NO9 (cas 26833-87-4) Molecular Structure

26833-87-4 Structure

Identification and Related Records

【Name】
Homoharringtonine
【CAS Registry number】
26833-87-4
【Synonyms】
Cephalotaxine,4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), [3(R)]-
Homoharringtonine (8CI)
CGX 635
Ceflatonin
Myelostat
NSC 141633
Omacetaxine mepesuccinate
Ephalotaxine, 4-methyl(2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester)
【Molecular Formula】
C29H39NO9 (Products with the same molecular formula)
【Molecular Weight】
545.62126
【Inchi】
InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25+,28-,29?/m0/s1
【InChIKey】
HYFHYPWGAURHIV-ZEDNPHJLSA-N
【Canonical SMILES】
CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O
【Isomers smiles】
CC(C)(CCCC(CC(=O)OC)(C(=O)O[C@H]1[C@@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=
C1OC)OCO4)O)O

Chemical and Physical Properties

【Appearance】
Off-white Cryst
【Density】
1.33 g/cm3
【Melting Point】
144-146 °C
【Boiling Point】
713.1 ºC at 760 mmHg
【Vapour】
2.41E-21mmHg at 25°C
【Refractive Index】
1.604
【Flash Point】
385.1 ºC
【Water】
Soluble in DMSO or 100% ethanol.
【Solubilities】
Soluble in DMSO or 100% ethanol.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:545.62126 [g/mol]
Molecular Formula:C29H39NO9
XLogP3:0.8
H-Bond Donor:2
H-Bond Acceptor:10
Rotatable Bond Count:11
Exact Mass:545.262482
MonoIsotopic Mass:545.262482
Topological Polar Surface Area:124
Heavy Atom Count:39
Formal Charge:0
Complexity:968
Isotope Atom Count:0
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:7
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:5
Effective Rotor Count:12.8
Conformer Sampling RMSD:1.2
CID Conformer Count:48

Safety and Handling

【Hazard Codes】
T+: Very toxic;Xi: Irritant;
【Risk Statements】
R26/27/28
【Safety Statements 】
36/37/39-45-27-26
【HazardClass】
6.1(a)
【Safety】

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Safety information of Homoharringtonine (CAS NO.26833-87-4):
Hazard Codes: T+,Xi
Risk Statements: 26/27/28-36/37/38
R26/27/28: Very Toxic by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 36/37/39-45-27-26
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
S27: Take off immediately all contaminated clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
RIDADR: UN 1544 6.1/PG 2
WGK Germany: 3
RTECS: FK0260000
HazardClass: 6.1(a)
PackingGroup: II

【PackingGroup 】
II
【Transport】
UN 1544 6
【Specification】

? Homoharringtonine (CAS NO.26833-87-4), its Synonyms are 1-((1S,3aR,14bS)-2-Methoxy-1,5,6,8,9,14b-hexahydro-4H-cyclopenta(a)(1,3)dioxolo(4,5-h)pyrrolo(2,1-b)(3)benzazepin-1-yl) 4-methyl (2R)-2- hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate ; Ceflatonin ; Myelostat ; Omacetaxine mepesuccinate ; Omapro ; Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester) (9CI) ; Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))- (9CI) ; Cephalotaxine, 4-methyl-, 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester) ; Homoharringtonine (8CI) .

Use and Manufacturing

【Usage】

Homoharringtonine (HHT) combined with some botanical drugs could induce cancer cells to resemble normal cells. HHT was prepared by a semi-synthetic method from Cephalotaxine, a major alkaloid of Cepahlotaxus species through the formation of a-ketoes

Biomedical Effects and Toxicity

【Biological Activity】
Inhibitor of protein synthesis. Blocks elongation phase of translation by binding to the 60-S ribosome subunit. Antileukemic.
【Pharmacological Action】
- Agents and endogenous substances that antagonize or inhibit the development of new blood vessels.
- Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.

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