MM-I-77 (Pyrrolizidine alkaloid)
Basic information
- CAS
151853-67-7- Standard SMILES
CC(C)CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12- InChIKey
YVBVGQNSEZBESK-DGCLKSJQSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- MM-I-77 (Pyrrolizidine alkaloid)
- IUPAC
- [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methylbutanoate
- English name
- Big Endothelin-2 (human) ammonium
- Molecular weight
- 0
Names & synonyms
NSC334378151853-67-7CHEMBL159729NSC-334378C-9 Isovaleric acid ester of retronecineFB110160MM-I-77 (PYRROLIZIDINE ALKALOID)Big Endothelin-2 (human) ammonium acetate saltBig Endothelin-2 (human) ammonium
Database identifiers
- CAS
151853-67-7- PubChem CID
- 333469
- ChEMBL
CHEMBL159729- EC Number
- 811-532-5
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Sequence
- Cys-Ser-Cys-Ser-Ser-Trp-Leu-Asp-Lys-Glu-Cys-Val-Tyr-Phe-Cys-His-Leu-Asp-Ile-Ile-Trp-Val-Asn-Thr-Pro-Glu-Gln-Thr-Ala-Pro-Tyr-Gly-Leu-Gly-Asn-Pro-Pro-Arg (Disulfide bridge:Cys1-Cys15;Cys3-Cys11)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
Chemistry & industry
Applications
UsesBig Endothelin-2 (human) is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development[1].
Suppliers
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Compound notes
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