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| CAS No.: | 50264-69-2 |
|---|---|
| Name: | Lonidamine |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C15H10Cl2N2O2 |
| Molecular Weight: | 321.163 |
| Synonyms: | 1-(2,4-Dichlorobenzyl)-1H-indazole-3-carboxylicacid;AF 1890;DICA;Diclondazolic acid; |
| EINECS: | 256-510-0 |
| Density: | 1.47 g/cm3 |
| Melting Point: | 207-209 °C |
| Boiling Point: | 537.9 °C at 760 mmHg |
| Flash Point: | 280.6 °C |
| Solubility: | soluble in methanol or acetic acid |
| Appearance: | white to light yellow crystal |
| Hazard Symbols: |
 T
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| Risk Codes: | 60-22-40 |
| Safety: | 53-22-36/37/39-45 |
| PSA: | 55.12000 |
| LogP: | 4.08960 |
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Specification
The CAS register number of lonidamine is 50264-69-2. It also can be called as Diclondazolic acid and the IUPAC name about this chemical is 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid. The molecular formula about this chemical is C15H10Cl2N2O2 and the molecular weight is 321.16. Classification code about this chemical are Anti-Infective Agents, Antineoplastic agents, Antiparasitic Agents, Antiprotozoal Agents, Antispermatogenic agents, Contraceptive Agents, Contraceptive Agents, Male, Drug / Therapeutic Agent, Mutation data, Noxae, Radiation-sensitizing agents, Reproductive Control Agents, Reproductive Effect and Trypanocidal agents. This chemical is narrow-spectrum anti-tumor and it can be used for a variety of tumors, such as breast cancer, prostate cancer, lung cancer and brain tumors and so on. Another is also a spermicidal drug. This chemical has been used in the treatment of brain tumours in combination with radiotherapy and temozolomide. Results showed that a combination of temozolomide and lonidamine at clinically achievable, low plasma concentrations, could inhibit tumour growth, and lonidamine could reduce the dose of temozolomide required for radiosensitization of brain tumours.
Physical properties about lonidamine are: (1)ACD/LogP: 4.52; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 1.44; (4)ACD/BCF (pH 5.5): 17.16; (5)ACD/BCF (pH 7.4): 1.33; (6)ACD/KOC (pH 5.5): 73.47; (7)ACD/KOC (pH 7.4): 5.7; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 44.12Å2; (12)Index of Refraction: 1.678; (13)Molar Refractivity: 81.94 cm3; (14)Molar Volume: 217.2 cm3; (15)Polarizability: 32.48x10-24cm3; (16)Surface Tension: 55.1 dyne/cm; (17)Enthalpy of Vaporization: 85.78 kJ/mol; (18)Boiling Point: 537.9 °C at 760 mmHg; (19)Vapour Pressure: 2.11E-12 mmHg at 25°C.
Isatin reacts with Sodium hydroxide can produce Compound (I), in the Sulfuric acid solution, this cehmical can produce Compound (II), after filtration can get Indazole-3-carboxylic acid (Ⅲ), and it can react with 2,4-dichloro-benzyl chloride to produce lonidamine.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed, it is limited evidence of a carcinogenic effect and it may impair fertility. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need do not breathe dust and avoid exposure - obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(c(Cl)c1)Cn3nc(c2ccccc23)C(=O)O
(2)InChI: InChI=1/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
(3)InChIKey: WDRYRZXSPDWGEB-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
(5)Std. InChIKey: WDRYRZXSPDWGEB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 435mg/kg (435mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Chemotherapy Vol. 27(Suppl, |
| mouse | LD50 | oral | 900mg/kg (900mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Chemotherapy Vol. 27(Suppl, |
| rat | LD50 | intraperitoneal | 525mg/kg (525mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Chemotherapy Vol. 27(Suppl, |
| rat | LD50 | oral | 1700mg/kg (1700mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Chemotherapy Vol. 27(Suppl, |