AQP4 (201-220)

CAT: 0931-TP3213-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TP3213-01Size:10 mg

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CAS Number

2104700-59-4

Target

Aquaporin

Related Pathways

Membrane transporter/Ion channel

Bioactivity

AQP4 (201-220) is the encephalitogenic epitope of AQP-4. AQP4 (201-220) can induce experimental autoimmune encephalomyelitis (EAE), characterized by midline brain lesions, retinal lesions, and lesions at the gray matter/white matter boundary of the spinal cord. AQP-4 is the target antigen in neuromyelitis optica.

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CC=CC=C2)NC([C@@H](NC([C@H](CC3=CN=CN3)N)=O)CC(C)C)=O)=O)C)=O)[C@H](CC)C)=O)CC(N)=O)=O)=O)[C@@H](C)O)=O)=O)C)=O)CO)=O)CCSC)=O)CC(N)=O)(=O)N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC5=CC=CC=C5)C(NCC(=O)N6[C@H](C(O)=O)CCC6)=O)=O)CO)=O)CCCNC(=N)N)=O)C)=O)CCC4

Molecular Formula

C97H143N27O27S

Molecular Weight

2151.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

H-His-Leu-Phe-Ala-Ile-Asn-Tyr-Thr-Gly-Ala-Ser-Met-Asn-Pro-Ala-Arg-Ser-Phe-Gly-Pro-OH

CAS Number	2104700-59-4
PubChem CID	176490122
IUPAC Name	(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
Molecular Formula	C97H143N27O27S
Molecular Weight	2151.4
XLogP	-7.1
Topological Polar Surface Area	882
Hydrogen Bond Donor Count	29
Hydrogen Bond Acceptor Count	31
Rotatable Bond Count	64
Heavy Atom Count	152
Formal Charge	0
Complexity	4680

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N4CCC[C@H]4C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C97H143N27O27S/c1-10-50(4)77(121-81(135)53(7)109-86(140)65(38-56-22-15-12-16-23-56)115-87(141)63(36-49(2)3)113-82(136)60(98)40-58-43-103-48-107-58)94(148)117-67(41-73(99)129)88(142)116-66(39-57-27-29-59(128)30-28-57)89(143)122-78(54(8)127)93(147)105-44-75(131)108-51(5)79(133)119-69(46-125)90(144)112-62(31-35-152-9)85(139)118-68(42-74(100)130)95(149)124-34-18-25-71(124)92(146)110-52(6)80(134)111-61(24-17-32-104-97(101)102)84(138)120-70(47-126)91(145)114-64(37-55-20-13-11-14-21-55)83(137)106-45-76(132)123-33-19-26-72(123)96(150)151/h11-16,20-23,27-30,43,48-54,60-72,77-78,125-128H,10,17-19,24-26,31-42,44-47,98H2,1-9H3,(H2,99,129)(H2,100,130)(H,103,107)(H,105,147)(H,106,137)(H,108,131)(H,109,140)(H,110,146)(H,111,134)(H,112,144)(H,113,136)(H,114,145)(H,115,141)(H,116,142)(H,117,148)(H,118,139)(H,119,133)(H,120,138)(H,121,135)(H,122,143)(H,150,151)(H4,101,102,104)/t50-,51-,52-,53-,54+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-/m0/s1

InChIKey

ZYLALZWZILIJIE-XJJQRWKCSA-N

Chemical Structure

2D Structure

CAS: 2104700-59-4

CID: 176490122

Formula: C97H143N27O27S

MW: 2151.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	2151.4
XLogP3	-7.1
Hydrogen Bond Donor Count	29
Hydrogen Bond Acceptor Count	31
Rotatable Bond Count	64
Exact Mass	2151.0400984
Monoisotopic Mass	2150.0367436
Topological Polar Surface Area	882 Å²
Heavy Atom Count	152
Formal Charge	0
Complexity	4680
Isotope Atom Count	0
Defined Atom Stereocenter Count	20
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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T73439-01	MPH-220
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T16973-01	TAK-220
TP3871-01	RP-220
T11443-01	GNE 220
T211026-01	INNO-220
T28196-01	NS-220
T210607-01	KARI 201
T63424-01	BRP-201
T9901A-058-01	NEO-201

Alternative Products

Catalog	Name
GTR19133785-01	AQP4 (201-220)
HY-P10936A-01	AQP4 (201-220) (TFA)
GTR19133790-01	AQP4 (201-220) TFA
520198-01	AQP4
BA1921-1	TAK-220
HY-P991476	MDX-220
HY-P6084	RP-220
HY-105515	TJN 220
440712-01	AC 220
M10715-01	GNE-220

AQP4 (201-220)

Chemical Information

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