AT-1002

CAT: 0013-GTR19226878-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19226878-03Size:100 mg

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Description

AT-1002 is a synthetic hexapeptide that functions as a tight junction modulator to enhance paracellular absorption. It is widely used in research to investigate intestinal permeability and drug delivery in both in vitro cellular models and in vivo animal studies.

CAS Number

835872-35-0

Field of Research

Signal Transduction

Smiles

[C@@H] (NC ([C@@H] (NC ([C@H] (CC1=CC=CC=C1) N) =O) CS) =O) (C (NCC (N[C@H] (C (N[C@@H] (CC (C) C) C (O) =O) =O) CCCNC (=N) N) =O) =O) [C@H] (CC) C

Molecular Formula

C32H53N9O7S

Molecular Weight

707.88

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

L-Leucine, L-phenylalanyl-L-cysteinyl-L-isoleucylglycyl-L-arginyl-

CAS Number	835872-35-0
PubChem CID	11600115
IUPAC Name	(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid
Molecular Formula	C32H53N9O7S
Molecular Weight	707.9
XLogP	-2.9
Topological Polar Surface Area	274
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	22
Heavy Atom Count	49
Formal Charge	0
Complexity	1130

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C32H53N9O7S/c1-5-19(4)26(41-29(45)24(17-49)40-27(43)21(33)15-20-10-7-6-8-11-20)30(46)37-16-25(42)38-22(12-9-13-36-32(34)35)28(44)39-23(31(47)48)14-18(2)3/h6-8,10-11,18-19,21-24,26,49H,5,9,12-17,33H2,1-4H3,(H,37,46)(H,38,42)(H,39,44)(H,40,43)(H,41,45)(H,47,48)(H4,34,35,36)/t19-,21-,22-,23-,24-,26-/m0/s1

InChIKey

LADIUXCZKYKVRR-PSEZLDIXSA-N

Chemical Structure

2D Structure

CAS: 835872-35-0

CID: 11600115

Formula: C32H53N9O7S

MW: 707.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	707.9
XLogP3	-2.9
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	22
Exact Mass	707.37886624
Monoisotopic Mass	707.37886624
Topological Polar Surface Area	274 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1130
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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A19170-1	AT-1002 1mg
A19170-50	AT-1002 50mg
A19170-5	AT-1002 5mg
MBS5754246	AT-1002 TFA
A19170-100	AT-1002 100mg

AT-1002

Chemical Information

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