Iodomethylboronic Acid Pinacol Ester - CAS 70557-99-2
Catalog: |
BB034178 |
Product Name: |
Iodomethylboronic Acid Pinacol Ester |
CAS: |
70557-99-2 |
Synonyms: |
2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | Used in the preparation of Taspase1 inhibitors and α-methylene-γ-butyrolactones. α-Methylene-γ-butyrolactones have the ability to suppress growth in pancreatic carcinoma cells. |
Molecular Weight: | 267.90 |
Molecular Formula: | C7H14IO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CI |
InChI: | InChI=1S/C7H14BIO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3 |
InChI Key: | UBNNPAYFVZFWPE-UHFFFAOYSA-N |
LogP: | 2.47110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021119176-A | Cyclic peptide compound with Kras inhibitory effect | 20191107 |
JP-6880352-B1 | Cyclic peptide compound with Kras inhibitory effect | 20191107 |
KR-20210064234-A | Cyclic peptide compound having Kras inhibitory action | 20191107 |
WO-2021090855-A1 | Cyclic peptide compound having kras inhibiting action | 20191107 |
WO-2020252598-A1 | Radiolabeled compounds targeting the prostate-specific membrane antigen | 20190621 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.01316 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.01316 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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