Completing data — usually done within a minute
Basic information
- Standard SMILES
O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12- InChIKey
WDRYRZXSPDWGEB-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2N2O2
- Average molar mass
- 321.163 g/mol
- Monoisotopic mass
- 320.01193292
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorobenzyl)-1H-indazole-3-carboxylic acid
- IUPAC
- 1-[(2,4-Dichlorophenyl)methyl]-1H-indazole-3-carboxylic acid
- English name
- Lonidamine
- Molecular formula
- C15H10Cl2N2O2
- Molecular weight
- 321.16
Names & synonyms
dicalonidaminaf1890LONIDAMINEdoridaminaLonidnmineLONIDAMINGAF-1890：DICALonidamine, >=99%DICLONDAZOLIC ACID
Database identifiers
- CAS
50264-69-2- PubChem CID
- 39562
- DTXSID
DTXSID5020782- ChEMBL
CHEMBL1257030- ChEBI
CHEBI:50138- UNII
- U78804BIDR
- EC Number
- 256-510-0
- Nikkaji
- J10.376D
Properties
Physicochemical properties
- Melting point
- 207 · 207-209°C
- Boiling point
- 537.9 · 537.9±45.0 °C(Predicted)
- Density
- 1.4835 · 1.4835 (rough estimate)
- refractive index
- 1.607 · 1.6070 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Soluble in DMSO (up to 25 mg/ml).
- pka
- 3 · 3.00±0.10(Predicted)
- form
- solid
- color
- White
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 1 month.
- 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)
- InChIKey
- WDRYRZXSPDWGEB-UHFFFAOYSA-N
- SMILES
- N1(CC2=CC=C(Cl)C=C2Cl)C2=C(C=CC=C2)C(C(O)=O)=N1
- CAS DataBase Reference
- 50264 · 50264-69-2(CAS DataBase Reference)
- FDA UNII
- 78804 BIDR · U78804BIDR
- ATC code
- 1 XX07 · L01XX07
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H351-H360
- Precautionary statements
- 201 · P201-P301+P312+P330-P308+P313
- PPE
- 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 60 · 60-22-40
- Safety Statements
- 53 · 53-22-36/37/39-45
- WGK Germany
- 3 · 3
- RTECS
- 7886000 · NK7886000
- HS Code
- 29339900 · 29339900
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 4 OralCarc · Acute Tox. 4 OralCarc. 2Repr. 1B
- Toxicity
- 50 in · LD50 in mice, rats (mg/kg): 900, 1700 orally; 435, 525 i.p. (Heywood)
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- NK7886000
- hs_code
- 29339900
- Toxicity
- LD50 in mice, rats (mg/kg): 900, 1700 orally; 435, 525 i.p. (Heywood)
- risk_code
- 60-22-40
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- T
- safety_code
- 53-22-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H351-H360
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Repr. 1B
- Precautionary statements
- P201-P301+P312+P330-P308+P313
Chemistry & industry
Applications
DescriptionLonidamine is a derivative of indazole-3-carboxylic acid. It is a kind of orally administrated small molecule, which can inhibit the glycolysis process through inactivating the hexokinase (the first step in glycolysis). It has been shown that cancer cell primarily generates energy through glycolysis process. Therefore, Lonidamine has been used for the treatment of several kinds of cancers. One special property of Lonidamine is that it seems to enhance aerobic glycolysis in normal cells, but inhibit glycolysis only in cancer cells. In addition, there are also evidences that Lonidamine may increase the occurrence of apoptosis. It has also been shown that Lonidamine is effective in the treatment of benigh prostatic hyperplasia (BPH).
DescriptionLonidamine is an antineoplastic agent reportedly effective for the treatment of various cancers, including lung, breast, prostate and brain tumors. Its clinical effect appears to be associated with changes in cellular energy metabolism.
Usescontraceptive, spermicidal
Upstream & downstream products
Upstream raw materials
Suppliers50 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
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Additional notes
DefinitionChEBI: A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.
Related reactions
3 records
Linked notes
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