2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a
Accession Number
DB15243
Type
Small Molecule
Groups
Investigational
Description

2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a is under investigation in clinical trial NCT01668823 (Photodynamic Therapy in Treating Patients With Lung Cancer).

Structure
Thumb
Synonyms
  • HPPH
International/Other Brands
Photochlor
Categories
UNII
DOB7Y3RSX0
CAS number
149402-51-7
Weight
Average: 636.837
Monoisotopic: 636.367556042
Chemical Formula
C39H48N4O4
InChI Key
PVXGCBZIVFCMJK-NMWXTPPCSA-N
InChI
InChI=1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,41,43H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1
IUPAC Name
3-[(21S,22S)-11-ethyl-16-[1-(hexyloxy)ethyl]-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoic acid
SMILES
CCCCCCOC(C)C1=C2NC(\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)C3=C4N\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4C(=O)C3)=C1C

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
24710790
ChEMBL
CHEMBL500853
Wikipedia
2-(1-Hexyloxyethyl)-2-devinyl_pyropheophorbide-a

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdenocarcinoma of the Lung / Large Cell Lung Cancer / Non-Small Cell Lung Cancer Recurrent / Squamous Cell Carcinoma of Lung / Stage 0 Non-small Cell Lung Cancer1
1CompletedTreatmentNon-Melanomatous Skin Cancer1
1CompletedTreatmentRecurrent Adenoid Cystic Carcinoma of the Oral Cavity / Recurrent Basal Cell Carcinoma of the Lip / Recurrent Esthesioneuroblastoma of the Paranasal Sinus and Nasal Cavity / Recurrent Inverted Papilloma of the Paranasal Sinus and Nasal Cavity / Recurrent Lymphoepithelioma of the Nasopharynx / Recurrent Lymphoepithelioma of the Oropharynx / Recurrent Metastatic Squamous Neck Cancer With Occult Primary / Recurrent Midline Lethal Granuloma of the Paranasal Sinus and Nasal Cavity / Recurrent Mucoepidermoid Carcinoma of the Oral Cavity / Recurrent Salivary Gland Cancer / Recurrent Squamous Cell Carcinoma of the Hypopharynx / Recurrent Squamous Cell Carcinoma of the Larynx / Recurrent Squamous Cell Carcinoma of the Lip and Oral Cavity / Recurrent Squamous Cell Carcinoma of the Nasopharynx / Recurrent Squamous Cell Carcinoma of the Oropharynx / Recurrent Squamous Cell Carcinoma of the Paranasal Sinus and Nasal Cavity / Recurrent Thyroid Cancer / Recurrent Verrucous Carcinoma of the Larynx / Recurrent Verrucous Carcinoma of the Oral Cavity / Stage I Adenoid Cystic Carcinoma of the Oral Cavity / Stage I Basal Cell Carcinoma of the Lip / Stage I Esthesioneuroblastoma of the Paranasal Sinus and Nasal Cavity / Stage I Follicular Thyroid Cancer / Stage I Inverted Papilloma of the Paranasal Sinus and Nasal Cavity / Stage I Lymphoepithelioma of the Nasopharynx / Stage I Lymphoepithelioma of the Oropharynx / Stage I Midline Lethal Granuloma of the Paranasal Sinus and Nasal Cavity / Stage I Mucoepidermoid Carcinoma of the Oral Cavity / Stage I Papillary Thyroid Cancer / Stage I Salivary Gland Cancer / Stage I Squamous Cell Carcinoma of the Hypopharynx / Stage I Squamous Cell Carcinoma of the Larynx / Stage I Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage I Squamous Cell Carcinoma of the Oropharynx / Stage I Squamous Cell Carcinoma of the Paranasal Sinus and Nasal Cavity / Stage I Verrucous Carcinoma of the Larynx / Stage I Verrucous Carcinoma of the Oral Cavity / Stage II Adenoid Cystic Carcinoma of the Oral Cavity / Stage II Basal Cell Carcinoma of the Lip / Stage II Esthesioneuroblastoma of the Paranasal Sinus and Nasal Cavity / Stage II Follicular Thyroid Cancer / Stage II Inverted Papilloma of the Paranasal Sinus and Nasal Cavity / Stage II Lymphoepithelioma of the Nasopharynx / Stage II Lymphoepithelioma of the Oropharynx / Stage II Midline Lethal Granuloma of the Paranasal Sinus and Nasal Cavity / Stage II Mucoepidermoid Carcinoma of the Oral Cavity / Stage II Papillary Thyroid Cancer / Stage II Salivary Gland Cancer / Stage II Squamous Cell Carcinoma of the Hypopharynx / Stage II Squamous Cell Carcinoma of the Larynx / Stage II Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage II Squamous Cell Carcinoma of the Oropharynx / Stage II Squamous Cell Carcinoma of the Paranasal Sinus and Nasal Cavity / Stage II Verrucous Carcinoma of the Larynx / Stage II Verrucous Carcinoma of the Oral Cavity1
2Active Not RecruitingTreatmentStage I Oral Cavity Squamous Cell Carcinoma / Stage II Oral Cavity Squamous Cell Carcinoma1
2WithdrawnTreatmentRecurrent Squamous Cell Carcinoma of the Lip and Oral Cavity / Recurrent Squamous Cell Carcinoma of the Oropharynx / Recurrent Verrucous Carcinoma of the Oral Cavity / Stage I Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage I Squamous Cell Carcinoma of the Oropharynx / Stage I Verrucous Carcinoma of the Oral Cavity / Stage II Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage II Squamous Cell Carcinoma of the Oropharynx / Stage II Verrucous Carcinoma of the Oral Cavity / Stage III Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage III Squamous Cell Carcinoma of the Oropharynx / Stage III Verrucous Carcinoma of the Oral Cavity / Stage IVA Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage IVA Squamous Cell Carcinoma of the Oropharynx / Stage IVA Verrucous Carcinoma of the Oral Cavity / Stage IVB Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage IVB Squamous Cell Carcinoma of the Oropharynx / Stage IVB Verrucous Carcinoma of the Oral Cavity / Stage IVC Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage IVC Squamous Cell Carcinoma of the Oropharynx / Stage IVC Verrucous Carcinoma of the Oral Cavity1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0112 mg/mLALOGPS
logP6.37ALOGPS
logP7.53ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.75ChemAxon
pKa (Strongest Basic)5.04ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area120.96 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity185.78 m3·mol-1ChemAxon
Polarizability77.71 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 09:03 / Updated on June 12, 2020 10:53

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