Aclerastide

CAT: 0931-T26554-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0931-T26554-02Size:500 mg

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CAS Number

227803-63-6

Target

RAAS

Related Pathways

Endocrinology/Hormones

Bioactivity

Aclerastide is an angiotensin receptor agonist. Administration of Aclerastide reduced fibrosis and scarring in the healing wounds. This action was more pronounced with longer administration of the peptide after injury. The action of this peptide was blocked by the AT receptor antagonist d-Ala7-angiotensin (1-7), which suggests that this receptor is involved in the healing responses to exogenous Aclerastide.

Smiles

C([C@H](CC1=CN=CN1)NC([C@@H](NC([C@H](CC2=CC=C(O)C=C2)NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)CCCNC(=N)N)=O)CCCC)=O)=O)[C@H](CC)C)=O)(=O)N3[C@H](C(O)=O)CCC3

Molecular Formula

C42H64N12O11

Molecular Weight

913.03

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Aclerastide

Aclerastide has been investigated for the treatment of Diabetic Foot, Diabetic Foot Ulcers, and Foot Ulcer, Diabetic.

CAS Number	227803-63-6
PubChem CID	9811551
IUPAC Name	(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
Molecular Formula	C42H64N12O11
Molecular Weight	913.0
XLogP	-2.5
Topological Polar Surface Area	380
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	27
Heavy Atom Count	65
Formal Charge	0
Complexity	1660

SMILES

CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C42H64N12O11/c1-4-6-9-28(50-36(59)29(10-7-16-47-42(44)45)49-35(58)27(43)20-33(56)57)37(60)51-30(18-24-12-14-26(55)15-13-24)38(61)53-34(23(3)5-2)39(62)52-31(19-25-21-46-22-48-25)40(63)54-17-8-11-32(54)41(64)65/h12-15,21-23,27-32,34,55H,4-11,16-20,43H2,1-3H3,(H,46,48)(H,49,58)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,56,57)(H,64,65)(H4,44,45,47)/t23-,27-,28-,29-,30-,31-,32-,34-/m0/s1

InChIKey

RUBMHAHMIJSMHA-LBWFYSSPSA-N

Chemical Structure

2D Structure

CAS: 227803-63-6

CID: 9811551

Formula: C42H64N12O11

MW: 913.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	913.0
XLogP3	-2.5
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	27
Exact Mass	912.48175090
Monoisotopic Mass	912.48175090
Topological Polar Surface Area	380 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1660
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3847729-01	Aclerastide
A23149-5	Aclerastide 5mg
A23149-10	Aclerastide 10mg
A23149-1	Aclerastide 1mg

Aclerastide

Chemical Information

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