NAV

Maltotetraose

Identification

Generic Name
Maltotetraose
DrugBank Accession Number
DB02237
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 666.579
Monoisotopic: 666.221858372
Chemical Formula
C24H42O21
Synonyms
  • alpha-1,4-tetraglucose
  • Amylotetraose
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UGlucan 1,4-alpha-maltotetraohydrolaseNot AvailablePseudomonas stutzeri
UNeopullulanase 2Not AvailableThermoactinomyces vulgaris
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

Adverse Effects
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Toxicity

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.
DrugInteraction
Integrate drug-drug
interactions in your software
AcenocoumarolThe risk or severity of bleeding can be increased when Maltotetraose is combined with Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Maltotetraose is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Maltotetraose is combined with Articaine.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Maltotetraose.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Maltotetraose is combined with Benzocaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Oligosaccharides
Alternative Parents
Alkyl glycosides / O-glycosyl compounds / Fatty alcohols / Oxanes / Beta-hydroxy aldehydes / Alpha-hydroxyaldehydes / Secondary alcohols / Polyols / Oxacyclic compounds / Acetals
show 3 more
Substituents
Acetal / Alcohol / Aldehyde / Aliphatic heteromonocyclic compound / Alkyl glycoside / Alpha-hydroxyaldehyde / Beta-hydroxy aldehyde / Carbonyl group / Fatty acyl / Fatty acyl glycoside
show 12 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
maltotetraose tetrasaccharide (CHEBI:28460)
Affected organisms
Not Available

Chemical Identifiers

UNII
BO88JLT87R
CAS number
34612-38-9
InChI Key
UYQJCPNSAVWAFU-KVXMBEGHSA-N
InChI
InChI=1S/C24H42O21/c25-1-6(30)11(32)19(7(31)2-26)43-23-17(38)14(35)21(9(4-28)41-23)45-24-18(39)15(36)20(10(5-29)42-24)44-22-16(37)13(34)12(33)8(3-27)40-22/h1,6-24,26-39H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1
IUPAC Name
(2R,3R,4R,5R)-4-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal
SMILES
OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O

References

Synthesis Reference

Yoshiyuki Takasaki, "Method of using G-4 amylase to produce high maltotetraose and high maltose content starch hydrolysates." U.S. Patent US4925795, issued November, 1985.

US4925795
General References
Not Available
KEGG Compound
C02052
PubChem Compound
123966
PubChem Substance
46506588
ChemSpider
110488
ChEBI
28460
ZINC
ZINC000087493170
Wikipedia
Maltodextrin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility221.0 mg/mLALOGPS
logP-2.6ALOGPS
logP-8.9Chemaxon
logS-0.48ALOGPS
pKa (Strongest Acidic)11.7Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count21Chemaxon
Hydrogen Donor Count14Chemaxon
Polar Surface Area355.67 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity134.59 m3·mol-1Chemaxon
Polarizability61.46 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.8748
Blood Brain Barrier+0.6207
Caco-2 permeable-0.8836
P-glycoprotein substrateNon-substrate0.5394
P-glycoprotein inhibitor INon-inhibitor0.7589
P-glycoprotein inhibitor IINon-inhibitor0.9142
Renal organic cation transporterNon-inhibitor0.8144
CYP450 2C9 substrateNon-substrate0.8451
CYP450 2D6 substrateNon-substrate0.8853
CYP450 3A4 substrateNon-substrate0.658
CYP450 1A2 substrateNon-inhibitor0.961
CYP450 2C9 inhibitorNon-inhibitor0.9376
CYP450 2D6 inhibitorNon-inhibitor0.9399
CYP450 2C19 inhibitorNon-inhibitor0.9083
CYP450 3A4 inhibitorNon-inhibitor0.9645
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8898
Ames testNon AMES toxic0.8628
CarcinogenicityNon-carcinogens0.9551
BiodegradationNot ready biodegradable0.6632
Rat acute toxicity1.0242 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9517
hERG inhibition (predictor II)Non-inhibitor0.8283
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0502229000-5be3f4e8abbc4b9b076c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gbj-1201249000-5c637c1a2e9cabcf43c8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ed-1902203000-8031f9716e5d95a089a2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-002o-9100173000-8b81aeaf737a66fc7d57
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02ta-2900132000-7a22b0ec5123ccf33348
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9010202000-2c73df2b6778d8996e01
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-225.18828
predicted
DeepCCS 1.0 (2019)
[M+H]+226.91199
predicted
DeepCCS 1.0 (2019)
[M+Na]+233.17906
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Glucan 1,4-alpha-maltotetraohydrolase
Kind
Protein
Organism
Pseudomonas stutzeri
Pharmacological action
Unknown
General Function
Starch binding
Specific Function
Not Available
Gene Name
amyP
Uniprot ID
P13507
Uniprot Name
Glucan 1,4-alpha-maltotetraohydrolase
Molecular Weight
59875.725 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Details2. Neopullulanase 2
Kind
Protein
Organism
Thermoactinomyces vulgaris
Pharmacological action
Unknown
General Function
Neopullulanase activity
Specific Function
Hydrolyzes pullulan efficiently but only a small amount of starch. Endohydrolysis of 1,4-alpha-glucosidic linkages in pullulan to form panose. Cleaves also (1-6)-alpha-glucosidic linkages to form m...
Gene Name
tvaII
Uniprot ID
Q08751
Uniprot Name
Neopullulanase 2
Molecular Weight
67466.71 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52