5-Methoxyindole-3-carboxylic Acid - CAS 10242-01-0
Catalog: |
BB000852 |
Product Name: |
5-Methoxyindole-3-carboxylic Acid |
CAS: |
10242-01-0 |
Synonyms: |
5-methoxy-1H-indole-3-carboxylic acid; 5-methoxy-1H-indole-3-carboxylic acid |
IUPAC Name: | 5-methoxy-1H-indole-3-carboxylic acid |
Description: | 5-Methoxyindole-3-carboxylic Acid can be used in the synthesis of benzoheterocycle derivatives as vascular endothelial growth factor receptor-2 tyrosine kinase inhibitors and in the synthesis of indoleamine 2,3-dioxygenase 1 inhibitors with potential antitumor activity. |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | COC1=CC2=C(C=C1)NC=C2C(=O)O |
InChI: | InChI=1S/C10H9NO3/c1-14-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13) |
InChI Key: | RVVSEZGJCOAUED-UHFFFAOYSA-N |
Boiling Point: | 447.6 °C at 760 mmHg |
Density: | 1.381 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD03265451 |
LogP: | 1.87470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112979528-A | Tegaserod water-soluble organic acid salt and preparation method and application thereof | 20210201 |
WO-2021000935-A1 | Hpk1 inhibitors and uses thereof | 20190704 |
WO-2020106695-A1 | Methods of treating cancer | 20181119 |
TW-202038943-A | Methods of treating cancer | 20181119 |
EP-3883605-A1 | Methods of treating cancer | 20181119 |
PMID | Publication Date | Title | Journal |
12403641 | 20020101 | Clinical pharmacokinetics of tegaserod, a serotonin 5-HT(4) receptor partial agonist with promotile activity | Clinical pharmacokinetics |
11560869 | 20011001 | In vitro metabolism of tegaserod in human liver and intestine: assessment of drug interactions | Drug metabolism and disposition: the biological fate of chemicals |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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