DBCO-acid - CAS 1353016-70-2
Catalog: |
BB008131 |
Product Name: |
DBCO-acid |
CAS: |
1353016-70-2 |
Synonyms: |
11,12-Didehydro-gamma-oxodibenz[b,f]azocine-5(6H)-butanoic acid |
Application: |
White to light yellow powder to crystal |
IUPAC Name: | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoic acid |
Description: | DBCO-acid is a cleavable ADC linker used in the synthesis of ADC linker DBCO-NHS ester (HY-115524 and HY-115545), and drug-linker conjugates DBCO-PEG-MMAE. |
Molecular Weight: | 305.33 |
Molecular Formula: | C19H15NO3 |
Canonical SMILES: | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)O |
InChI: | InChI=1S/C19H15NO3/c21-18(11-12-19(22)23)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13H2,(H,22,23) |
InChI Key: | NDLOVDOICXITOK-UHFFFAOYSA-N |
Melting Point: | 179.0 to 183.0 ℃ |
Purity: | > 98.0 % |
Solubility: | 10 mm in DMSO |
Appearance: | Solid |
Storage: | Store at -20 ℃, keep in dry and avoid sunlight. |
LogP: | 2.86280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112957463-A | Immune activation type antibody and application thereof | 20210222 |
WO-2021011927-A1 | Complement inhibitor dosing regimens | 20190718 |
WO-2021007111-A1 | Viral vector therapy | 20190705 |
US-2020353105-A1 | Macrocyclic Chelators and Methods of Use Thereof | 20190510 |
WO-2020229974-A1 | Macrocyclic chelators and methods of use thereof | 20190510 |
Complexity: | 529 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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