DD04107

CAT: 0931-T71246-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T71246-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1202877-06-2

Target

Others

Related Pathways

Others

Bioactivity

DD04107 is a novel inhibitor of α-calcitonin gene-related peptide (α-CGRP) exocytotic release from primary sensory neurons, selectively interacting with Synaptotagmin 1.

Smiles

[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CCCCCCCCCCCCCCC)=O)CCC(O)=O)=O)CCC(O)=O)=O)CCSC)=O)CCC(N)=O)=O)(C(N[C@@H](CCCNC(=N)N)C(N)=O)=O)CCCNC(=N)N

Molecular Formula

C48H88N14O12S

Molecular Weight

1085.36

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

palmitoyl-Glu-Glu-Met-Gln-Arg-Arg-NH2

CAS Number	1202877-06-2
PubChem CID	91088406
IUPAC Name	(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-(hexadecanoylamino)-5-oxopentanoic acid
Molecular Formula	C48H88N14O12S
Molecular Weight	1085.4
XLogP	1
Topological Polar Surface Area	489
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	46
Heavy Atom Count	75
Formal Charge	0
Complexity	1850

SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C48H88N14O12S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-38(64)57-33(22-25-39(65)66)43(71)61-35(23-26-40(67)68)45(73)62-36(27-30-75-2)46(74)60-34(21-24-37(49)63)44(72)59-32(19-17-29-56-48(53)54)42(70)58-31(41(50)69)18-16-28-55-47(51)52/h31-36H,3-30H2,1-2H3,(H2,49,63)(H2,50,69)(H,57,64)(H,58,70)(H,59,72)(H,60,74)(H,61,71)(H,62,73)(H,65,66)(H,67,68)(H4,51,52,55)(H4,53,54,56)/t31-,32-,33-,34-,35-,36-/m0/s1

InChIKey

MKMGHNXKCFXFRM-NGTAMTFRSA-N

Chemical Structure

2D Structure

CAS: 1202877-06-2

CID: 91088406

Formula: C48H88N14O12S

MW: 1085.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1085.4
XLogP3	1
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	46
Exact Mass	1084.64268547
Monoisotopic Mass	1084.64268547
Topological Polar Surface Area	489 Å²
Heavy Atom Count	75
Formal Charge	0
Complexity	1850
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

Alternative Products

Catalog	Name
GTR19208137-01	DD04107

DD04107

Chemical Information

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