3-(Tritylthio)propionic acid - CAS 27144-18-9
Catalog: |
BB019481 |
Product Name: |
3-(Tritylthio)propionic acid |
CAS: |
27144-18-9 |
Synonyms: |
3-tritylsulfanylpropanoic acid |
IUPAC Name: | 3-tritylsulfanylpropanoic acid |
Description: | Preparation and structural modification of 3-Tritylsulfanylpropionic Acid possesses antileukemic activity against leukemia. |
Molecular Weight: | 348.46 |
Molecular Formula: | C22H20O2S |
Canonical SMILES: | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O |
InChI: | InChI=1S/C22H20O2S/c23-21(24)16-17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24) |
InChI Key: | AECGEIVNZGQBJT-UHFFFAOYSA-N |
Boiling Point: | 503.8 ℃ at 760 mmHg |
Melting Point: | 211-213 ℃ |
Purity: | 95 % |
Density: | 1.197 g/cm3 |
Appearance: | White to off white powder |
Storage: | 2-8 ℃ |
MDL: | MFCD00237291 |
LogP: | 5.18640 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111793106-A | Polypeptide helix conformation stabilizing method | 20200803 |
CN-113354811-A | Oxazoline polymer with side chain containing amino and/or hydroxyl, preparation method and application thereof | 20200219 |
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WO-2021127460-A1 | Pcsk9 antagonist compounds | 20191220 |
US-2021069288-A1 | Pcsk9 antagonist compounds | 20190830 |
PMID | Publication Date | Title | Journal |
18266314 | 20080313 | Structure-activity relationship of S-trityl-L-cysteine analogues as inhibitors of the human mitotic kinesin Eg5 | Journal of medicinal chemistry |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 348.11840105 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 348.11840105 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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