3-(2-Carboxypiperazin-4-yl)propyl-1-phosphonic acid

HCID 1228CAS 100828-16-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C1CN(CCCP(=O)(O)O)CCN1
InChIKey
CUVGUPIVTLGRGI-UHFFFAOYSA-N
Molecular formula
C8H17N2O5P
Average molar mass
252.2 g/mol
Monoisotopic mass
252.08750827

Overview

structure given in first source; NMDA receptor antagonist

Names & identifiers

Preferred name
3-(2-Carboxypiperazin-4-yl)propyl-1-phosphonic acid
IUPAC
4-(3-phosphonopropyl)piperazine-2-carboxylic acid
English name
CARBOXYPEPTIDASE P
Molecular weight
0

Names & synonyms

100828-16-83-2-Cpp3-(2-Carboxypiperazin-4-yl)propyl-1-phosphonic acid2-Piperazinecarboxylic acid, 4-(3-phosphonopropyl)-4-(3-Phosphonopropyl)-2-piperazinecarboxylic acid98Y1I8ZD4MRefChem:490762634-473-54-(3-phosphonopropyl)piperazine-2-carboxylic acid(RS)-CPPCARBOXYPEPTIDASE P9075-64-3
Show more names
EC 3.4.17.16PROLINE CARBOXYPEPTIDASEPENICILLOCARBOXYPEPTIDASE S-1CPP【NMDA receptor antagonist】4-Cyano-4''-pentyl-p-terphenylAMINOACYLPROLINE CARBOXYPEPTIDASEmembrane Pro-Xaa carboxypeptidaselysosomal Pro-Xaa carboxypeptidaseARBOXYPEPTIDASE P FROM PENICILLIUM JANT
(+/-)-CPPCHEMBL22304C8H17N2O5P4-(3-Phosphono-propyl)-piperazine-2-carboxylic acid(+/-)-3-(2-CARBOXYPIPERAZIN-4-YL)-PROPYL-1-PHOSPHONIC ACIDSR-01000075428UNII-98Y1I8ZD4M[3H]CPP

Database identifiers

CAS
100828-16-8、9075-64-3
PubChem CID
1228
DTXSID
DTXSID10905774
ChEMBL
CHEMBL22304
UNII
98Y1I8ZD4M
EC Number
624-824-0、634-473-5
Nikkaji
J260.391H、J377.332I

Properties

Computed structural properties

XLogP
-6.8
Topological polar surface area
110 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
16

Physicochemical properties

storage temp.
20 °C · −20°C
form
powder
color
white
Symbol(GHS)
8 · GHS08
Signal word
Danger
Hazard statements
334 · H334-H319-H315

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P233, P260, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Skin Irrit. 2 (100%)

Safety data

F
9
wgk
1
risk_code
36/37/38-42
Signal word
Danger
Symbol(GHS)
GHS08
hazard_code
Xn

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Drugs used to prevent SEIZURES or reduce their severity.

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.

Suppliers17 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
成都蓝蜻蜓生物技术有限公司028-87856149; 15208320722 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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