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HTMT (dimaleate)

CAT: 0804-HY-101052-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101052-01Size:1 mg
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Description
HTMT (dimaleate) is a potent histamine H1 and H2 receptor agonist. HTMT (dimaleate) is 4 x 104 times more active than histamine in H2-mediated effects in natural suppressor cells[1].
CAS Number
195867-54-0
UNSPSC
12352005
Target
Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/htmt-dimaleate.html
Purity
99.55
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
CC(NCCC1=CN=CN1)CCCCC(NC2=CC=C(C(F)(F)F)C=C2)=O.O=C(O)/C=C\C(O)=O.O=C(O)/C=C\C(O)=O
Molecular Formula
C27H33F3N4O9
Molecular Weight
614.57
References & Citations
[1]Khan MM, Marr-Leisy D, Verlander MS, Bristow MR, Strober S, Goodman M, Melmon KL. The effects of derivatives of histamine on natural suppressor cells. J Immunol. 1986 Jul 1;137 (1) :308-14.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
H1 Receptor; H2 Receptor

Chemical Information

HTMT dimaleate
CAS Number195867-54-0
PubChem CID45073433
IUPAC Namebis((Z)-but-2-enedioic acid);6-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide
Molecular FormulaC27H33F3N4O9
Molecular Weight614.6
Topological Polar Surface Area219
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Heavy Atom Count43
Formal Charge0
Complexity558
SMILES
CC(NCCC1=CN=CN1)CCCCC(=O)NC2=CC=C(C=C2)C(F)(F)F.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C19H25F3N4O.2C4H4O4/c1-14(24-11-10-17-12-23-13-25-17)4-2-3-5-18(27)26-16-8-6-15(7-9-16)19(20,21)22;2*5-3(6)1-2-4(7)8/h6-9,12-14,24H,2-5,10-11H2,1H3,(H,23,25)(H,26,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey
ODAOZWTYNWZSBY-SPIKMXEPSA-N
Chemical Structure
2D Structure
2D structure of HTMT dimaleate
CAS: 195867-54-0
CID: 45073433
Formula: C27H33F3N4O9
MW: 614.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass614.21996313
Monoisotopic Mass614.21996313
Topological Polar Surface Area219 Ų
Heavy Atom Count43
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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