Pressinamide

CAT: 0013-GTR19193051-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19193051-01Size:25 mg

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Description

Pressinamide is a synthetic analog of the neurohypophysial hormone vasopressin. It is utilized in biomedical research to study vasopressin receptor (V1a, V1b, V2) signaling pathways in both in vitro assays and in vivo models related to cardiovascular function and social behaviors.

CAS Number

27759-18-8

Smiles

N[C@H]1CSSC[C@H] (NC (=O) [C@H] (CC (N) =O) NC (=O) [C@H] (CCC (N) =O) NC (=O) [C@H] (Cc2ccccc2) NC (=O) [C@H] (Cc2ccc (O) cc2) NC1=O) C (N) =O

Molecular Formula

C33H43N9O9S2

Molecular Weight

773.88

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Pressinamide

structure

CAS Number	27759-18-8
PubChem CID	3082272
IUPAC Name	(2S)-N-[(2S)-4-amino-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylidenepropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
Molecular Formula	C33H43N9O9S2
Molecular Weight	773.9
XLogP	-2.6
Topological Polar Surface Area	354
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	22
Heavy Atom Count	53
Formal Charge	0
Complexity	1330

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C=S)N

InChI

InChI=1S/C33H43N9O9S2/c34-20(15-52)29(47)39-22(13-18-6-8-19(43)9-7-18)32(50)40-23(12-17-4-2-1-3-5-17)31(49)38-21(10-11-26(35)44)30(48)41-24(14-27(36)45)33(51)42-25(16-53)28(37)46/h1-9,15,20-25,43,53H,10-14,16,34H2,(H2,35,44)(H2,36,45)(H2,37,46)(H,38,49)(H,39,47)(H,40,50)(H,41,48)(H,42,51)/t20-,21-,22-,23-,24-,25-/m0/s1

InChIKey

FIOYAHRQRSQYSO-OOPVGHQCSA-N

Chemical Structure

2D Structure

CAS: 27759-18-8

CID: 3082272

Formula: C33H43N9O9S2

MW: 773.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	773.9
XLogP3	-2.6
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	22
Exact Mass	773.26251633
Monoisotopic Mass	773.26251633
Topological Polar Surface Area	354 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1330
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T34130-01	Pressinamide

Pressinamide

Chemical Information

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