Basic information
- CAS
107097-80-3- Standard SMILES
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1- InChIKey
QNQZBKQEIFTHFZ-UHFFFAOYSA-N- Molecular formula
- C21H30Cl2N2O5
- Average molar mass
- 461.4 g/mol
- Monoisotopic mass
- 460.1531774
Overview
Loxiglumide is an organic molecular entity.
Names & identifiers
- Preferred name
- Loxiglumide
- IUPAC
- 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid
- English name
- LOXIGLUMIDE
- Molecular formula
- C21H30Cl2N2O5
- Molecular weight
- 461.38
Names & synonyms
LOXIGLUMIDE107097-80-3LoxiglumidaCR-1505LoxiglumidumCR 1505DTXSID605761577MPX3N42IDTXCID7031404(+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((3-methoxypropyl)pentylamino)-5-oxopentanoic acidD,L-4-(3,4-Dichlorobenzoylamino)-5-(N-3-methoxypropylpentylamino)-5-oxo-pentanoic acid4-((3,4-dichlorobenzoyl)amino)-5-(3-methoxypropyl-pentylamino)-5-oxopentanoic acid
Show more names
CS-162cr1505anoicacid(+-)--5-oxontanoicacidLoxiglumide, >98%LoxigluMide (CR1505)Loxiglumide >=97% (HPLC)Loxiglumide, 10 mM in DMSO
4-[(3,4-dichlorobenzoyl)amino]-5-(3-methoxypropyl-pentylamino)-5-oxopentanoic acidRefChem:8000634-(3,4-dichlorobenzoylamino)-5-(N-3-methoxypropylpentylamino)-5-oxopentanoic acidLoxiglumide [INN]4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pentyl)amino)-5-oxopentanoic acid4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acidMFCD00866772CHEMBL206025
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Melting point
- 113 · 113-115℃
- Boiling point
- 632.2 · 632.2±55.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/mL · DMSO: ≥5mg/mL
- pka
- 5 · pKa ~5(at 25℃)
- form
- powder
- color
- white to beige
- InChI
- 1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)
- InChIKey
- QNQZBKQEIFTHFZ-UHFFFAOYSA-N
- SMILES
- CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
- CAS DataBase Reference
- 107097 · 107097-80-3
- FDA UNII
- 77 MPX3N42I · 77MPX3N42I
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical substances which inhibit the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
Applications
UsesLoxiglumide is a CCK1 antagonist. Suppresses CCK-induced proliferation of acinar cells. Inhibits pancreatic secretion of digestive enzymes. Active in vivo.
Suppliers53 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海波以尔化工有限公司[email protected]
InvivoChem中国13549236410 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海攀鸿化工科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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