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DN 1417

CAT: 0013-GTR19194630Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194630Size:25 mg
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Description
DN 1417 is a synthetic analog of thyrotropin-releasing hormone (TRH) . This research compound is utilized in neuroscience and endocrinology studies to investigate TRH receptor signaling and neuroendocrine functions in both in vitro and in vivo experimental models.
CAS Number
77026-81-4
Smiles
C (CC (O) =O) (CC (O) =O) (C (O) =O) O.C ([C@H] (CC1=CN=CN1) NC (=O) C2CCC (=O) O2) (=O) N3[C@H] (C (N) =O) CCC3
Molecular Formula
C22H29N5O12
Molecular Weight
555.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DN-1417

RN given refers to parent cpd

CAS Number77026-81-4
PubChem CID156883
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide
Molecular FormulaC22H29N5O12
Molecular Weight555.5
Topological Polar Surface Area280
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity825
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)C3CCC(=O)O3)C(=O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C16H21N5O5.C6H8O7/c17-14(23)11-2-1-5-21(11)16(25)10(6-9-7-18-8-19-9)20-15(24)12-3-4-13(22)26-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,10-12H,1-6H2,(H2,17,23)(H,18,19)(H,20,24);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,11-,12?;/m0./s1
InChIKey
YYPBZNVNEDBLON-MEMPEZCVSA-N
Chemical Structure
2D Structure
2D structure of DN-1417
CAS: 77026-81-4
CID: 156883
Formula: C22H29N5O12
MW: 555.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass555.18127138
Monoisotopic Mass555.18127138
Topological Polar Surface Area280 Ų
Heavy Atom Count39
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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